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The dataset generation failed
Error code: DatasetGenerationError
Exception: TypeError
Message: Couldn't cast array of type string to null
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1816, in _prepare_split_single
for key, table in generator:
^^^^^^^^^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 613, in wrapped
for item in generator(*args, **kwargs):
~~~~~~~~~^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 343, in _generate_tables
self._cast_table(pa_table, json_field_paths=json_field_paths),
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 132, in _cast_table
pa_table = table_cast(pa_table, self.info.features.arrow_schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2369, in table_cast
return cast_table_to_schema(table, schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2303, in cast_table_to_schema
cast_array_to_feature(
~~~~~~~~~~~~~~~~~~~~~^
table[name] if name in table_column_names else pa.array([None] * len(table), type=schema.field(name).type),
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
feature,
^^^^^^^^
)
^
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 1852, in wrapper
return pa.chunked_array([func(chunk, *args, **kwargs) for chunk in array.chunks])
~~~~^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2143, in cast_array_to_feature
return array_cast(
array,
...<2 lines>...
allow_decimal_to_str=allow_decimal_to_str,
)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 1854, in wrapper
return func(array, *args, **kwargs)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2005, in array_cast
raise TypeError(f"Couldn't cast array of type {_short_str(array.type)} to {_short_str(pa_type)}")
TypeError: Couldn't cast array of type string to null
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
~~~~~~~~~~~~~~~~~~~~~~~~~^
builder, max_dataset_size_bytes=max_dataset_size_bytes
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
)
^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1683, in _prepare_split
for job_id, done, content in self._prepare_split_single(
~~~~~~~~~~~~~~~~~~~~~~~~~~^
gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
):
^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1869, in _prepare_split_single
raise DatasetGenerationError("An error occurred while generating the dataset") from e
datasets.exceptions.DatasetGenerationError: An error occurred while generating the datasetNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
sample_id string | input string | output string | raw_input string | raw_output string | split string | task string | input_core_tag_left string | input_core_tag_right string | output_core_tag_left string | output_core_tag_right string | target null |
|---|---|---|---|---|---|---|---|---|---|---|---|
forward_synthesis.test.0.None | Predict a possible product from the listed reactants and reagents. <SMILES> CCN.CN1C=CC=C1C=O </SMILES> | <SMILES> CCNCC1=CC=CN1C </SMILES> | CCN.CN1C=CC=C1C=O | CCNCC1=CC=CN1C | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.1.None | Given the following reactants and reagents, please provide a possible product. <SMILES> CN(C)C=CC(=O)C1=CC=CO1.CS(C)=O.Cl.N#CCC(N)=O.O.O=C([O-])[O-].[K+] </SMILES> | <SMILES> N#CC1=CC=C(C2=CC=CO2)NC1=O </SMILES> | CN(C)C=CC(=O)C1=CC=CO1.CS(C)=O.Cl.N#CCC(N)=O.O.O=C([O-])[O-].[K+] | N#CC1=CC=C(C2=CC=CO2)NC1=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.2.None | A chemical reaction has started with the substance(s) <SMILES> CCN(CC)CC.CS(=O)(=O)Cl.ClCCl.OCC1=COC(Cl)=N1.[Cl-].[NH4+] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CS(=O)(=O)OCC1=COC(Cl)=N1 </SMILES> . | CCN(CC)CC.CS(=O)(=O)Cl.ClCCl.OCC1=COC(Cl)=N1.[Cl-].[NH4+] | CS(=O)(=O)OCC1=COC(Cl)=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.3.None | <SMILES> C1=CC=NC=C1.CN(C)C1=CC=CC(C(=O)Cl)=C1.NC1=NNC2=CC=C([N+](=O)[O-])C=C12 </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CN(C)C1=CC=CC(C(=O)NC2=NNC3=CC=C([N+](=O)[O-])C=C23)=C1 </SMILES> . | C1=CC=NC=C1.CN(C)C1=CC=CC(C(=O)Cl)=C1.NC1=NNC2=CC=C([N+](=O)[O-])C=C12 | CN(C)C1=CC=CC(C(=O)NC2=NNC3=CC=C([N+](=O)[O-])C=C23)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.4.None | Using <SMILES> CC1COC2=C3C(=CC(F)=C2C2=CSC(CN)=N2)C(=O)C(C(=O)O)=CN31.CCNCC1=NC(C2=C(F)C=C3C(=O)C(C(=O)O)=CN(CCF)C3=C2F)=CS1 </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CNCC1=NC(C2=C(F)C=C3C(=O)C(C(=O)O)=CN(CCF)C3=C2F)=CS1 </SMILES> | CC1COC2=C3C(=CC(F)=C2C2=CSC(CN)=N2)C(=O)C(C(=O)O)=CN31.CCNCC1=NC(C2=C(F)C=C3C(=O)C(C(=O)O)=CN(CCF)C3=C2F)=CS1 | CNCC1=NC(C2=C(F)C=C3C(=O)C(C(=O)O)=CN(CCF)C3=C2F)=CS1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.5.None | Consider that for a chemical reaction, if <SMILES> C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1NC1=NC(Cl)=C2C(=O)N(C(=O)OC(C)(C)C)CC2=C1F.CC1=CC=CC=C1.CCCC[Sn... | <SMILES> CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC1=NC(C2=CC3=CN=CC=C3S2)=C2C(=O)N(C(=O)OC(C)(C)C)CC2=C1F </SMILES> | C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1NC1=NC(Cl)=C2C(=O)N(C(=O)OC(C)(C)C)CC2=C1F.CC1=CC=CC=C1.CCCC[Sn](CCCC)(CCCC)C1=CC2=CN=CC=C2S1 | CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC1=NC(C2=CC3=CN=CC=C3S2)=C2C(=O)N(C(=O)OC(C)(C)C)CC2=C1F | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.6.None | <SMILES> NC1=CC=C2C(=C1)C[C@@H]1NCCC[C@H]21.O=C(O)C1=CC=C2NC=NC2=C1 </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> NC1=CC=C2C(=C1)C[C@H]1[C@@H]2CCCN1C(=O)C1=CC=C2NC=NC2=C1 </SMILES> . | NC1=CC=C2C(=C1)C[C@@H]1NCCC[C@H]21.O=C(O)C1=CC=C2NC=NC2=C1 | NC1=CC=C2C(=C1)C[C@H]1[C@@H]2CCCN1C(=O)C1=CC=C2NC=NC2=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.7.None | Predict the product of a chemical reaction with <SMILES> COC1=CC(C(=O)O)=CC=C1C1=CC=CC=N1.C[Si](C)(C)OP(=O)=O.NC1=CN=CC=C1O </SMILES> as the reactants and reagents. | <SMILES> COC1=CC(C2=NC3=CN=CC=C3O2)=CC=C1C1=CC=CC=N1 </SMILES> | COC1=CC(C(=O)O)=CC=C1C1=CC=CC=N1.C[Si](C)(C)OP(=O)=O.NC1=CN=CC=C1O | COC1=CC(C2=NC3=CN=CC=C3O2)=CC=C1C1=CC=CC=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.8.None | Given the following reactants and reagents, please provide a possible product. <SMILES> C1COCCO1.C[C@H](O)CN.O=S(=O)(NC1=CC=CC(C2=C(C3=CC=NC(Cl)=N3)SC(C3CCOCC3)=N2)=C1F)C1=COC=C1 </SMILES> | <SMILES> C[C@H](O)CNC1=NC=CC(C2=C(C3=CC=CC(NS(=O)(=O)C4=COC=C4)=C3F)N=C(C3CCOCC3)S2)=N1 </SMILES> | C1COCCO1.C[C@H](O)CN.O=S(=O)(NC1=CC=CC(C2=C(C3=CC=NC(Cl)=N3)SC(C3CCOCC3)=N2)=C1F)C1=COC=C1 | C[C@H](O)CNC1=NC=CC(C2=C(C3=CC=CC(NS(=O)(=O)C4=COC=C4)=C3F)N=C(C3CCOCC3)S2)=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.9.None | <SMILES> CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.CNC(=O)C1=CC=C(N)C=C1.COC1=CC=C(NC2=CC(C3=CC=CC(C(=O)O)=C3)=NN3C=CN=C23)N=C1OC.ON1N=NC2=CC=CC=C21 </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> CNC(=O)C1=CC=C(NC(=O)C2=CC=CC(C3=NN4C=CN=C4C(NC4=CC=C(OC)C(OC)=N4)=C3)=C2)C=C1 </SMILES> . | CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.CNC(=O)C1=CC=C(N)C=C1.COC1=CC=C(NC2=CC(C3=CC=CC(C(=O)O)=C3)=NN3C=CN=C23)N=C1OC.ON1N=NC2=CC=CC=C21 | CNC(=O)C1=CC=C(NC(=O)C2=CC=CC(C3=NN4C=CN=C4C(NC4=CC=C(OC)C(OC)=N4)=C3)=C2)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.10.None | Predict a possible product from the listed reactants and reagents. <SMILES> CC(=O)[O-].CC1=CC(C2=CC=CC=C2)=CC(C)=C1[Pb+3].CC1=CC=CC=C1.CN(C)C1=CC=NC=C1.Cl.ClC(Cl)Cl.O=C1CC(=O)CC2(CCOCC2)C1 </SMILES> | <SMILES> CC1=CC(C2=CC=CC=C2)=CC(C)=C1C1C(=O)CC2(CCOCC2)CC1=O </SMILES> | CC(=O)[O-].CC1=CC(C2=CC=CC=C2)=CC(C)=C1[Pb+3].CC1=CC=CC=C1.CN(C)C1=CC=NC=C1.Cl.ClC(Cl)Cl.O=C1CC(=O)CC2(CCOCC2)C1 | CC1=CC(C2=CC=CC=C2)=CC(C)=C1C1C(=O)CC2(CCOCC2)CC1=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.11.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CC(=O)O.CO.Cl.O=C1NC2=CC(C3=CC=CO3)=CC=C2C2=C1CCC2.[MgH2] </SMILES> . | <SMILES> O=C1NC2=CC(C3=CC=CO3)=CC=C2C2CCCC12 </SMILES> | CC(=O)O.CO.Cl.O=C1NC2=CC(C3=CC=CO3)=CC=C2C2=C1CCC2.[MgH2] | O=C1NC2=CC(C3=CC=CO3)=CC=C2C2CCCC12 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.12.None | Given the following reactants and reagents, please provide a possible product. <SMILES> N#CSCCl.OC(=S)C1=CC=CC=C1Cl </SMILES> | <SMILES> N#CSCOC(=S)C1=CC=CC=C1Cl </SMILES> | N#CSCCl.OC(=S)C1=CC=CC=C1Cl | N#CSCOC(=S)C1=CC=CC=C1Cl | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.13.None | Predict the product of a chemical reaction with <SMILES> CC(=O)[O-].CC(C)NCC(=O)N1CC(C)(C)C2=CC=C(N3C(=O)N(CC4=CC=NC(Cl)=C4)C(C)(C)C3=O)C=C21.CC1(C)C2=CC=C(P(C3=CC=CC=C3)C3=CC=CC=C3)C=C2OC2=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=CC=C21.CN1CCCC1=O.ClCCl.NC1=CC=CN=C1.O=C([O-])[O-].[Cs+].[Pd+2] </SMILES> as the reactants and reage... | <SMILES> CC(C)NCC(=O)N1CC(C)(C)C2=CC=C(N3C(=O)N(CC4=CC=NC(NC5=CC=CN=C5)=C4)C(C)(C)C3=O)C=C21 </SMILES> | CC(=O)[O-].CC(C)NCC(=O)N1CC(C)(C)C2=CC=C(N3C(=O)N(CC4=CC=NC(Cl)=C4)C(C)(C)C3=O)C=C21.CC1(C)C2=CC=C(P(C3=CC=CC=C3)C3=CC=CC=C3)C=C2OC2=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=CC=C21.CN1CCCC1=O.ClCCl.NC1=CC=CN=C1.O=C([O-])[O-].[Cs+].[Pd+2] | CC(C)NCC(=O)N1CC(C)(C)C2=CC=C(N3C(=O)N(CC4=CC=NC(NC5=CC=CN=C5)=C4)C(C)(C)C3=O)C=C21 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.14.None | Based on the given reactants and reagents: <SMILES> C1CCOC1.CC(C)(C)C1=CC(N)=NO1.NC1=NNC=C1.O=C1NC2=CC=CC=C2/C1=C/O </SMILES>, what product could potentially be produced? | The product can be <SMILES> CC(C)(C)C1=CC(NC=C2C(=O)NC3=CC=CC=C23)=NO1 </SMILES> . | C1CCOC1.CC(C)(C)C1=CC(N)=NO1.NC1=NNC=C1.O=C1NC2=CC=CC=C2/C1=C/O | CC(C)(C)C1=CC(NC=C2C(=O)NC3=CC=CC=C23)=NO1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.15.None | <SMILES> Br.CCOC(=O)C1=C(C2=CC(OC)=C(OC)C([N+](=O)[O-])=C2)OC=N1 </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> NCC(=O)C1=CC(O)=C(O)C([N+](=O)[O-])=C1 </SMILES> . | Br.CCOC(=O)C1=C(C2=CC(OC)=C(OC)C([N+](=O)[O-])=C2)OC=N1 | NCC(=O)C1=CC(O)=C(O)C([N+](=O)[O-])=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.16.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> C1CCOC1.CCOC(=O)C1=C(C2=CC=CC=C2)C2=CC=C(OC)C=C2C1=O.Cl[Mg]C1CCCCC1 </SMILES> . | <SMILES> CCOC(=O)C1=C(C2=CC=CC=C2)C2=CC=C(OC)C=C2C1(O)C1CCCCC1 </SMILES> | C1CCOC1.CCOC(=O)C1=C(C2=CC=CC=C2)C2=CC=C(OC)C=C2C1=O.Cl[Mg]C1CCCCC1 | CCOC(=O)C1=C(C2=CC=CC=C2)C2=CC=C(OC)C=C2C1(O)C1CCCCC1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.17.None | Propose a potential product given these reactants and reagents. <SMILES> CCCCC1=CC=C(CNCC2=CC=CC(CC(=O)OC)=C2)C=C1.CN1C=NC(S(=O)(=O)Cl)=C1 </SMILES> | <SMILES> CCCCC1=CC=C(CN(CC2=CC=CC(CC(=O)OC)=C2)S(=O)(=O)C2=CN(C)C=N2)C=C1 </SMILES> | CCCCC1=CC=C(CNCC2=CC=CC(CC(=O)OC)=C2)C=C1.CN1C=NC(S(=O)(=O)Cl)=C1 | CCCCC1=CC=C(CN(CC2=CC=CC(CC(=O)OC)=C2)S(=O)(=O)C2=CN(C)C=N2)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.18.None | <SMILES> C1=CC=C(CN2C(NC3CCNC3)=NC3=CC=CC=C32)N=C1.CN(C)C=O.Cl.N#CCCl.O=C([O-])[O-].[Na+] </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> N#CCN1CCC(NC2=NC3=CC=CC=C3N2CC2=CC=CC=N2)C1 </SMILES> | C1=CC=C(CN2C(NC3CCNC3)=NC3=CC=CC=C32)N=C1.CN(C)C=O.Cl.N#CCCl.O=C([O-])[O-].[Na+] | N#CCN1CCC(NC2=NC3=CC=CC=C3N2CC2=CC=CC=N2)C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.19.None | Consider that for a chemical reaction, if <SMILES> CC1=CC=CC=C1.CCO.CCOC(=O)N1CCN(CCC2=CC=CC(Cl)=C2)CC1.CCOC(=O)N1CCNCC1.ClC1=CC=CC(CCBr)=C1.O.[K+].[OH-] </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> ClC1=CC=CC(CCN2CCNCC2)=C1 </SMILES> | CC1=CC=CC=C1.CCO.CCOC(=O)N1CCN(CCC2=CC=CC(Cl)=C2)CC1.CCOC(=O)N1CCNCC1.ClC1=CC=CC(CCBr)=C1.O.[K+].[OH-] | ClC1=CC=CC(CCN2CCNCC2)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.20.None | Propose a potential product given these reactants and reagents. <SMILES> CC[Si](CC)(CC)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC23OCC(C)(CO2)CO3)[C@H]1CS(=O)(=O)C1=CC=CC=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 </SMILES> | <SMILES> CC12COC(CCC/C=C\C[C@@H]3[C@@H](CS(=O)(=O)C4=CC=CC=C4)[C@H](O)C[C@@H]3O)(OC1)OC2 </SMILES> | CC[Si](CC)(CC)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC23OCC(C)(CO2)CO3)[C@H]1CS(=O)(=O)C1=CC=CC=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | CC12COC(CCC/C=C\C[C@@H]3[C@@H](CS(=O)(=O)C4=CC=CC=C4)[C@H](O)C[C@@H]3O)(OC1)OC2 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.21.None | Propose a potential product given these reactants and reagents. <SMILES> C1COCCO1.CC1(C)C2=CC=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=C2OC2=C(P(C3=CC=CC=C3)C3=CC=CC=C3)C=CC=C21.CC1=C(Br)C=CC2=C(Cl)C=CN=C12.CCN(C(C)C)C(C)C.O=C(/C=C/C1=CC=CC=C1)/C=C/C1=CC=CC=C1.SCC1=CC=CC=C1.[Pd] </SMILES> | <SMILES> CC1=C(SCC2=CC=CC=C2)C=CC2=C(Cl)C=CN=C12 </SMILES> | C1COCCO1.CC1(C)C2=CC=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=C2OC2=C(P(C3=CC=CC=C3)C3=CC=CC=C3)C=CC=C21.CC1=C(Br)C=CC2=C(Cl)C=CN=C12.CCN(C(C)C)C(C)C.O=C(/C=C/C1=CC=CC=C1)/C=C/C1=CC=CC=C1.SCC1=CC=CC=C1.[Pd] | CC1=C(SCC2=CC=CC=C2)C=CC2=C(Cl)C=CN=C12 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.22.None | <SMILES> CC1=C(Br)C(=O)N(C2CCCC2)C2=NC(S(C)=O)=NC=C12.CC1=CC=CC=C1.CN1CCN(C2=CC=C(N)N=C2)CC1 </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CC1=C(Br)C(=O)N(C2CCCC2)C2=NC(NC3=CC=C(N4CCN(C)CC4)C=N3)=NC=C12 </SMILES> | CC1=C(Br)C(=O)N(C2CCCC2)C2=NC(S(C)=O)=NC=C12.CC1=CC=CC=C1.CN1CCN(C2=CC=C(N)N=C2)CC1 | CC1=C(Br)C(=O)N(C2CCCC2)C2=NC(NC3=CC=C(N4CCN(C)CC4)C=N3)=NC=C12 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.23.None | Propose a potential product given these reactants and reagents. <SMILES> CN(C)C=O.ClCCCBr.N#CC1=CC=C(C2=CC=CC=C2)C(O)=C1.O=C([O-])[O-].[K+] </SMILES> | <SMILES> N#CC1=CC=C(C2=CC=CC=C2)C(OCCCCl)=C1 </SMILES> | CN(C)C=O.ClCCCBr.N#CC1=CC=C(C2=CC=CC=C2)C(O)=C1.O=C([O-])[O-].[K+] | N#CC1=CC=C(C2=CC=CC=C2)C(OCCCCl)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.24.None | Consider that for a chemical reaction, if <SMILES> C1CCOC1.CCOC(=O)CCCCC(=O)C1=C(C)C=C(C)C(C)=C1O.[Al+3].[H-].[Li+] </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> CC1=CC(C)=C(C(O)CCCCCO)C(O)=C1C </SMILES> | C1CCOC1.CCOC(=O)CCCCC(=O)C1=C(C)C=C(C)C(C)=C1O.[Al+3].[H-].[Li+] | CC1=CC(C)=C(C(O)CCCCCO)C(O)=C1C | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.25.None | Using <SMILES> C1=CN=C(N2CCNCC2)N=C1.COC1=CC=C(CN(CC2=CC=C(OC)C=C2)C2=NC=C(C3=NC(N4CCOCC4)=NC4=C3CCN4C3=CC=C(C(=O)O)C=C3)C=N2)C=C1.Cl </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> COC1=CC=C(CN(CC2=CC=C(OC)C=C2)C2=NC=C(C3=NC(N4CCOCC4)=NC4=C3CCN4C3=CC=C(C(=O)N4CCN(C5=NC=CC=N5)CC4)C=C3)C=N2)C=C1 </SMILES> | C1=CN=C(N2CCNCC2)N=C1.COC1=CC=C(CN(CC2=CC=C(OC)C=C2)C2=NC=C(C3=NC(N4CCOCC4)=NC4=C3CCN4C3=CC=C(C(=O)O)C=C3)C=N2)C=C1.Cl | COC1=CC=C(CN(CC2=CC=C(OC)C=C2)C2=NC=C(C3=NC(N4CCOCC4)=NC4=C3CCN4C3=CC=C(C(=O)N4CCN(C5=NC=CC=N5)CC4)C=C3)C=N2)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.26.None | <SMILES> CC(=O)O.COC1=CC=C(CNC2=NC=NC3=C2C=CN3[C@@H]2O[C@H](CN(CCCCC(=O)NC3=CC=C(C(C)(C)C)C=C3N)C(C)C)[C@H]3OC(C)(C)O[C@H]32)C(OC)=C1 </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> COC1=CC=C(CNC2=NC=NC3=C2C=CN3[C@@H]2O[C@H](CN(CCCCC3=NC4=CC(C(C)(C)C)=CC=C4N3)C(C)C)[C@H]3OC(C)(C)O[C@H]32)C(OC)=C1 </SMILES> . | CC(=O)O.COC1=CC=C(CNC2=NC=NC3=C2C=CN3[C@@H]2O[C@H](CN(CCCCC(=O)NC3=CC=C(C(C)(C)C)C=C3N)C(C)C)[C@H]3OC(C)(C)O[C@H]32)C(OC)=C1 | COC1=CC=C(CNC2=NC=NC3=C2C=CN3[C@@H]2O[C@H](CN(CCCCC3=NC4=CC(C(C)(C)C)=CC=C4N3)C(C)C)[C@H]3OC(C)(C)O[C@H]32)C(OC)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.27.None | Given the following reactants and reagents, please provide a possible product. <SMILES> C1CCOC1.CCN(CC)S(F)(F)F.CCOC(=O)C1=CN2C3=C(CCN2CO)C(F)=C(F)C=C3C1=O.CO </SMILES> | <SMILES> CCOC(=O)C1=CN2C3=C(CCN2COC)C(F)=C(F)C=C3C1=O </SMILES> | C1CCOC1.CCN(CC)S(F)(F)F.CCOC(=O)C1=CN2C3=C(CCN2CO)C(F)=C(F)C=C3C1=O.CO | CCOC(=O)C1=CN2C3=C(CCN2COC)C(F)=C(F)C=C3C1=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.28.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> C1=CC=C(P(C2=CC=CC=C2)[C-]2C=CC=C2)C=C1.C=C(OC)O[Si](C)(C)C(C)(C)C.CC(=O)[O-].CC1=NC2=CC(Cl)=CC(OS(=O)(=O)C(F)(F)F)=C2C(C)=C1CC1=CC=C(Cl)C=C1.CC1=NC2=CC(OS(=O)(=O)C(F)(F)F)=CC(Cl)=C2C(C)=C1CC1=CC=C(Cl)C=C1.CCOC(C)=O.CN(C... | <SMILES> COC(=O)CC1=CC(Cl)=CC2=NC(C)=C(CC3=CC=C(Cl)C=C3)C(C)=C12 </SMILES> | C1=CC=C(P(C2=CC=CC=C2)[C-]2C=CC=C2)C=C1.C=C(OC)O[Si](C)(C)C(C)(C)C.CC(=O)[O-].CC1=NC2=CC(Cl)=CC(OS(=O)(=O)C(F)(F)F)=C2C(C)=C1CC1=CC=C(Cl)C=C1.CC1=NC2=CC(OS(=O)(=O)C(F)(F)F)=CC(Cl)=C2C(C)=C1CC1=CC=C(Cl)C=C1.CCOC(C)=O.CN(C)C=O.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.[Fe+2].[Na+].[Pd] | COC(=O)CC1=CC(Cl)=CC2=NC(C)=C(CC3=CC=C(Cl)C=C3)C(C)=C12 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.29.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CC(=O)[O-].CC1=CC=C(Cl)C=C1C1CC(=O)CC(=O)C1.CCO.[NH4+] </SMILES> . | <SMILES> CC1=CC=C(Cl)C=C1C1CC(=O)C=C(N)C1 </SMILES> | CC(=O)[O-].CC1=CC=C(Cl)C=C1C1CC(=O)CC(=O)C1.CCO.[NH4+] | CC1=CC=C(Cl)C=C1C1CC(=O)C=C(N)C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.30.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CCC(=O)[O-].CCO.FC(F)(F)C1=CN=C2C(=C1)C=CN2CC1=CC=NC=C1.O.[K+].[OH-] </SMILES> . | <SMILES> O=C(O)C1=CC2=CC(C(F)(F)F)=CN=C2N1CC1=CC=NC=C1 </SMILES> | CCC(=O)[O-].CCO.FC(F)(F)C1=CN=C2C(=C1)C=CN2CC1=CC=NC=C1.O.[K+].[OH-] | O=C(O)C1=CC2=CC(C(F)(F)F)=CN=C2N1CC1=CC=NC=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.31.None | Consider that for a chemical reaction, if <SMILES> CC(C)[N-]C(C)C.CI.CN(C)C=O.N#CC1=CC=C(C2NC(=O)N(C3=CC=CC(C(F)(F)F)=C3)C3=C2C(=O)CCC3)C=C1.O.[Li+] </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> CN1C(=O)N(C2=CC=CC(C(F)(F)F)=C2)C2=C(C(=O)CCC2)C1C1=CC=C(C#N)C=C1 </SMILES> | CC(C)[N-]C(C)C.CI.CN(C)C=O.N#CC1=CC=C(C2NC(=O)N(C3=CC=CC(C(F)(F)F)=C3)C3=C2C(=O)CCC3)C=C1.O.[Li+] | CN1C(=O)N(C2=CC=CC(C(F)(F)F)=C2)C2=C(C(=O)CCC2)C1C1=CC=C(C#N)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.32.None | Consider that for a chemical reaction, if <SMILES> BrBr.CC(=O)O.O=CC1=CC(=O)C(OCC2=CC=CC=C2)=CN1 </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> O=CC1=C(Br)C(=O)C(OCC2=CC=CC=C2)=CN1 </SMILES> | BrBr.CC(=O)O.O=CC1=CC(=O)C(OCC2=CC=CC=C2)=CN1 | O=CC1=C(Br)C(=O)C(OCC2=CC=CC=C2)=CN1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.33.None | <SMILES> CC(C)(C)C1=CC(F)=C2C(=O)N(C3=CC=CC(N4C=C(C#N)C=N4)=C3)N=CC2=C1.CCO.O </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> CC(C)(C)C1=CC(F)=C2C(=O)N(C3=CC=CC(N4C=C(C(N)=O)C=N4)=C3)N=CC2=C1 </SMILES> . | CC(C)(C)C1=CC(F)=C2C(=O)N(C3=CC=CC(N4C=C(C#N)C=N4)=C3)N=CC2=C1.CCO.O | CC(C)(C)C1=CC(F)=C2C(=O)N(C3=CC=CC(N4C=C(C(N)=O)C=N4)=C3)N=CC2=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.34.None | <SMILES> C1=CC=NC=C1.C1CCOC1.CC1=CC(N)=CC(N2CCC3=CC=CC=C3C2)=N1.CCOC(=O)C(=O)Cl </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CCOC(=O)C(=O)NC1=CC(C)=NC(N2CCC3=CC=CC=C3C2)=C1 </SMILES> . | C1=CC=NC=C1.C1CCOC1.CC1=CC(N)=CC(N2CCC3=CC=CC=C3C2)=N1.CCOC(=O)C(=O)Cl | CCOC(=O)C(=O)NC1=CC(C)=NC(N2CCC3=CC=CC=C3C2)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.35.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CC(C)(C)OC(=O)N1CCC(C2=CC=C(OCCCOCC3=CC=CC=C3)C=C2)C(OCC2=CC=C3C=CC(CBr)=CC3=C2)C1.CN(C)CC1=CC=C2C=CC(COC3CN(C(=O)OC(C)(C)C)CCC3C3=CC=C(OCCCOCC4=CC=CC=C4)C=C3)=CC2=C1.OCCOC1CCCCO1 </SMILES> . | <SMILES> OCCOCC1=CC=C2C=CC(COC3CNCCC3C3=CC=C(OCCCOCC4=CC=CC=C4)C=C3)=CC2=C1 </SMILES> | CC(C)(C)OC(=O)N1CCC(C2=CC=C(OCCCOCC3=CC=CC=C3)C=C2)C(OCC2=CC=C3C=CC(CBr)=CC3=C2)C1.CN(C)CC1=CC=C2C=CC(COC3CN(C(=O)OC(C)(C)C)CCC3C3=CC=C(OCCCOCC4=CC=CC=C4)C=C3)=CC2=C1.OCCOC1CCCCO1 | OCCOCC1=CC=C2C=CC(COC3CNCCC3C3=CC=C(OCCCOCC4=CC=CC=C4)C=C3)=CC2=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.36.None | Propose a potential product given these reactants and reagents. <SMILES> CCOC(=O)N1CCC(Br)C(O[Si](C)(C)C(C)(C)C)C1.CCOC(=O)N1CCC(N=[N+]=[N-])C(O)C1 </SMILES> | <SMILES> CCOC(=O)N1CCC(N=[N+]=[N-])C(O[Si](C)(C)C(C)(C)C)C1 </SMILES> | CCOC(=O)N1CCC(Br)C(O[Si](C)(C)C(C)(C)C)C1.CCOC(=O)N1CCC(N=[N+]=[N-])C(O)C1 | CCOC(=O)N1CCC(N=[N+]=[N-])C(O[Si](C)(C)C(C)(C)C)C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.37.None | Based on the given reactants and reagents: <SMILES> C1CC2=C(C1)O2.C1CCOC1.CC(=O)[O-].CC(C)O.CC(C)OP(OC(C)C)OC(C)C.CCCCCC.CN1CCCC1=NC1=NC=NC2=C1NC=N2.CN1CCCC1=O.CS(C)=O.NC1=NC=NC2=C1NC=N2.[Li]CCCC.[Pd+2] </SMILES>, what product could potentially be produced? | The product can be <SMILES> CN1CCCC1=NC1=NC=NC2=C1N=CN2C1C=CC(O)C1 </SMILES> . | C1CC2=C(C1)O2.C1CCOC1.CC(=O)[O-].CC(C)O.CC(C)OP(OC(C)C)OC(C)C.CCCCCC.CN1CCCC1=NC1=NC=NC2=C1NC=N2.CN1CCCC1=O.CS(C)=O.NC1=NC=NC2=C1NC=N2.[Li]CCCC.[Pd+2] | CN1CCCC1=NC1=NC=NC2=C1N=CN2C1C=CC(O)C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.38.None | Propose a potential product given these reactants and reagents. <SMILES> BrB(Br)Br.CCOC(=O)NC1COC2=CC=C(OC)C=C2C1CC1=CC=CC=C1.ClCCl.O=C([O-])O.[Na+] </SMILES> | <SMILES> CCOC(=O)NC1COC2=CC=C(O)C=C2C1CC1=CC=CC=C1 </SMILES> | BrB(Br)Br.CCOC(=O)NC1COC2=CC=C(OC)C=C2C1CC1=CC=CC=C1.ClCCl.O=C([O-])O.[Na+] | CCOC(=O)NC1COC2=CC=C(O)C=C2C1CC1=CC=CC=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.39.None | Predict the product of a chemical reaction with <SMILES> C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C1COCCO1.CC1(C)OB(C2=CC=C3C(=O)OCC3=C2)OC1(C)C.COC1=CC=C(Br)C(OC)=C1OCC1CC1.O=C([O-])[O-... | <SMILES> COC1=CC=C(C2=CC=C3C(=O)OCC3=C2)C(OC)=C1OCC1CC1 </SMILES> | C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C1COCCO1.CC1(C)OB(C2=CC=C3C(=O)OCC3=C2)OC1(C)C.COC1=CC=C(Br)C(OC)=C1OCC1CC1.O=C([O-])[O-].[Cs+] | COC1=CC=C(C2=CC=C3C(=O)OCC3=C2)C(OC)=C1OCC1CC1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.40.None | Predict the product of a chemical reaction with <SMILES> C1CCOC1.CCN(C(C)C)C(C)C.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C.F[B-](F)(F)F.O=C(O)CCCOC1=CC=C2NC(=O)OC(C#CC3CC3)(C(F)(F)F)C2=C1 </SMILES> as the reactants and reagents. | <SMILES> O=C(CCCOC1=CC=C2NC(=O)OC(C#CC3CC3)(C(F)(F)F)C2=C1)ON1C(=O)CCC1=O </SMILES> | C1CCOC1.CCN(C(C)C)C(C)C.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C.F[B-](F)(F)F.O=C(O)CCCOC1=CC=C2NC(=O)OC(C#CC3CC3)(C(F)(F)F)C2=C1 | O=C(CCCOC1=CC=C2NC(=O)OC(C#CC3CC3)(C(F)(F)F)C2=C1)ON1C(=O)CCC1=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.41.None | <SMILES> CO.ClCCl.O=C(CC1(C2=CC=CC=C2)CCC1)C1=CC=CC=N1.[BH4-].[Na+] </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> OC(CC1(C2=CC=CC=C2)CCC1)C1=CC=CC=N1 </SMILES> . | CO.ClCCl.O=C(CC1(C2=CC=CC=C2)CCC1)C1=CC=CC=N1.[BH4-].[Na+] | OC(CC1(C2=CC=CC=C2)CCC1)C1=CC=CC=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.42.None | Predict the product of a chemical reaction with <SMILES> CCOC(=O)C1=C(C)N=C(N2C=NNC2=O)S1.FC1(F)CC1CBr.FC1=CC=C(CBr)C=C1 </SMILES> as the reactants and reagents. | <SMILES> CCOC(=O)C1=C(C)N=C(N2C=NN(CC3=CC=C(F)C=C3)C2=O)S1 </SMILES> | CCOC(=O)C1=C(C)N=C(N2C=NNC2=O)S1.FC1(F)CC1CBr.FC1=CC=C(CBr)C=C1 | CCOC(=O)C1=C(C)N=C(N2C=NN(CC3=CC=C(F)C=C3)C2=O)S1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.43.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> C=CC1=CC=NC=C1.CC(=O)[O-].CC1=CC=CC=C1P(C1=CC=CC=C1C)C1=CC=CC=C1C.CCN(CC)CC.CN(C)C=O.COC1=CC=CC=C1CNC1=CC=C2C=C(Br)C=CC2=N1.O.[Pd+2] </SMILES> . | <SMILES> COC1=CC=CC=C1CNC1=CC=C2C=C(/C=C/C3=CC=NC=C3)C=CC2=N1 </SMILES> | C=CC1=CC=NC=C1.CC(=O)[O-].CC1=CC=CC=C1P(C1=CC=CC=C1C)C1=CC=CC=C1C.CCN(CC)CC.CN(C)C=O.COC1=CC=CC=C1CNC1=CC=C2C=C(Br)C=CC2=N1.O.[Pd+2] | COC1=CC=CC=C1CNC1=CC=C2C=C(/C=C/C3=CC=NC=C3)C=CC2=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.44.None | Based on the given reactants and reagents: <SMILES> C1CCOC1.CO.ClCCl.O=C(C1=CC=C(C2=CC=NC=C2)C=C1)N1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3N2S(=O)(=O)C2=CC=CC=C2)CC1.O=C([O-])O.[Cl-].[K+].[NH4+].[Na+].[OH-] </SMILES>, what product could potentially be produced? | The product can be <SMILES> O=C(C1=CC=C(C2=CC=NC=C2)C=C1)N1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3N2)CC1 </SMILES> . | C1CCOC1.CO.ClCCl.O=C(C1=CC=C(C2=CC=NC=C2)C=C1)N1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3N2S(=O)(=O)C2=CC=CC=C2)CC1.O=C([O-])O.[Cl-].[K+].[NH4+].[Na+].[OH-] | O=C(C1=CC=C(C2=CC=NC=C2)C=C1)N1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3N2)CC1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.45.None | Predict the product of a chemical reaction with <SMILES> BrBr.CC(=O)O.CC(=O)[O-].COC1=CC=C(N)C=N1.[Na+].[OH-] </SMILES> as the reactants and reagents. | <SMILES> COC1=CC=C(N)C(Br)=N1 </SMILES> | BrBr.CC(=O)O.CC(=O)[O-].COC1=CC=C(N)C=N1.[Na+].[OH-] | COC1=CC=C(N)C(Br)=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.46.None | <SMILES> CN1CCC2=C(N)C=CC=C2C1.COC1=CC=C(C(=O)Cl)C(OC)=C1 </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> COC1=CC=C(C(=O)NC2=CC=CC3=C2CCN(C)C3)C(OC)=C1.Cl </SMILES> . | CN1CCC2=C(N)C=CC=C2C1.COC1=CC=C(C(=O)Cl)C(OC)=C1 | COC1=CC=C(C(=O)NC2=CC=CC3=C2CCN(C)C3)C(OC)=C1.Cl | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.47.None | Consider that for a chemical reaction, if <SMILES> CCC1=CC=CC(N)=C1.CCOCC.N#CBr </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> CCC1=CC=CC(NC#N)=C1 </SMILES> | CCC1=CC=CC(N)=C1.CCOCC.N#CBr | CCC1=CC=CC(NC#N)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.48.None | Propose a potential product given these reactants and reagents. <SMILES> CC(C)=O.CCCCCCCCCCCCNC(=N)NC(=N)NCC1=CC=C(S(N)(=O)=O)C=C1.CO.Cl </SMILES> | <SMILES> CCCCCCCCCCCCNC1=NC(C)(C)N=C(NCC2=CC=C(S(N)(=O)=O)C=C2)N1 </SMILES> | CC(C)=O.CCCCCCCCCCCCNC(=N)NC(=N)NCC1=CC=C(S(N)(=O)=O)C=C1.CO.Cl | CCCCCCCCCCCCNC1=NC(C)(C)N=C(NCC2=CC=C(S(N)(=O)=O)C=C2)N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.49.None | Using <SMILES> BrB(Br)Br.COC1=CC=CC2=C1C(CC(N)=O)=CN2CC1=CC=CC=C1 </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> NC(=O)CC1=CN(CC2=CC=CC=C2)C2=CC=CC(O)=C12 </SMILES> | BrB(Br)Br.COC1=CC=CC2=C1C(CC(N)=O)=CN2CC1=CC=CC=C1 | NC(=O)CC1=CN(CC2=CC=CC=C2)C2=CC=CC(O)=C12 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.50.None | Predict the product of a chemical reaction with <SMILES> CCO.CCOC(=O)C1=NC2=CC=CC=C2S1.NN </SMILES> as the reactants and reagents. | <SMILES> NNC(=O)C1=NC2=CC=CC=C2S1 </SMILES> | CCO.CCOC(=O)C1=NC2=CC=CC=C2S1.NN | NNC(=O)C1=NC2=CC=CC=C2S1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.51.None | Predict a possible product from the listed reactants and reagents. <SMILES> C1CCCCC1.CCO.CCOC(=O)CC1NCCC2=C1NC1=CC=C(Cl)C=C21.CN=C=O.Cl </SMILES> | <SMILES> CN1C(=O)CC2C3=C(CCN2C1=O)C1=CC(Cl)=CC=C1N3 </SMILES> | C1CCCCC1.CCO.CCOC(=O)CC1NCCC2=C1NC1=CC=C(Cl)C=C21.CN=C=O.Cl | CN1C(=O)CC2C3=C(CCN2C1=O)C1=CC(Cl)=CC=C1N3 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.52.None | Based on the given reactants and reagents: <SMILES> C1CCOC1.CN1C(Cl)=NC=C(Br)C1=O.Cl[Pd](Cl)([PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-].[Zn+]CC1CCCCC1 </SMILES>, what product could potentially be produced? | The product can be <SMILES> CN1C(CC2CCCCC2)=NC=C(Br)C1=O </SMILES> . | C1CCOC1.CN1C(Cl)=NC=C(Br)C1=O.Cl[Pd](Cl)([PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[PH](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-].[Zn+]CC1CCCCC1 | CN1C(CC2CCCCC2)=NC=C(Br)C1=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.53.None | Predict a possible product from the listed reactants and reagents. <SMILES> CCO.CCOC(=O)C(=CC=C(SC)C(=O)C1=CC=C(N(C)C)C=C1)N(C)C.Cl </SMILES> | <SMILES> CCOC(=O)C(O)=CC=C(SC)C(=O)C1=CC=C(N(C)C)C=C1 </SMILES> | CCO.CCOC(=O)C(=CC=C(SC)C(=O)C1=CC=C(N(C)C)C=C1)N(C)C.Cl | CCOC(=O)C(O)=CC=C(SC)C(=O)C1=CC=C(N(C)C)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.54.None | Based on the given reactants and reagents: <SMILES> COC(=O)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C(F)(F)F)=C1.OC1=CC=C2N=C(Cl)C=CC2=C1 </SMILES>, what product could potentially be produced? | The product can be <SMILES> O=C(O)C1=CC=C(C2=CC=C3C=C(O)C=CC3=N2)C(C(F)(F)F)=C1 </SMILES> . | COC(=O)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C(F)(F)F)=C1.OC1=CC=C2N=C(Cl)C=CC2=C1 | O=C(O)C1=CC=C(C2=CC=C3C=C(O)C=CC3=N2)C(C(F)(F)F)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.55.None | <SMILES> CCC(C)=O.NC(=O)CI.NC1=NC2=CC=C(OC(F)(F)F)C=C2S1 </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> N=C1SC2=CC(OC(F)(F)F)=CC=C2N1CC(N)=O </SMILES> . | CCC(C)=O.NC(=O)CI.NC1=NC2=CC=C(OC(F)(F)F)C=C2S1 | N=C1SC2=CC(OC(F)(F)F)=CC=C2N1CC(N)=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.56.None | <SMILES> C1CCOC1.CN(C)S(=O)(=O)N1C=C(CC(C)(C)C)N=C1C(=O)CC1=CC=C(N2CCCC3=C2N(COCC[Si](C)(C)C)N=C3)C=C1.C[Mg]Br </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CN(C)S(=O)(=O)N1C=C(CC(C)(C)C)N=C1C(C)(O)CC1=CC=C(N2CCCC3=C2N(COCC[Si](C)(C)C)N=C3)C=C1 </SMILES> | C1CCOC1.CN(C)S(=O)(=O)N1C=C(CC(C)(C)C)N=C1C(=O)CC1=CC=C(N2CCCC3=C2N(COCC[Si](C)(C)C)N=C3)C=C1.C[Mg]Br | CN(C)S(=O)(=O)N1C=C(CC(C)(C)C)N=C1C(C)(O)CC1=CC=C(N2CCCC3=C2N(COCC[Si](C)(C)C)N=C3)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.57.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> C1=CC=NC=C1.CC(=O)Cl.CC(C)C1=C2C(=O)NC=NN2C=C1C#N.CCO.CCOC(C)=O.Cl.NO.O.O=C([O-])[O-].[K+] </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> CC1=NC(C2=CN3N=CN=C(O)C3=C2C(C)C)=NO1 </SMILES> . | C1=CC=NC=C1.CC(=O)Cl.CC(C)C1=C2C(=O)NC=NN2C=C1C#N.CCO.CCOC(C)=O.Cl.NO.O.O=C([O-])[O-].[K+] | CC1=NC(C2=CN3N=CN=C(O)C3=C2C(C)C)=NO1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.58.None | Propose a potential product given these reactants and reagents. <SMILES> C1CCOC1.COC1=CC=C(C(=O)C(C)C(C)C(=O)C2=CC=C(OC)C(OC)=C2)C=C1OC.O=S(=O)([O-])[O-].[Al+3].[H-].[Li+].[Na+] </SMILES> | <SMILES> COC1=CC=C(C(O)C(C)C(C)C(O)C2=CC=C(OC)C(OC)=C2)C=C1OC </SMILES> | C1CCOC1.COC1=CC=C(C(=O)C(C)C(C)C(=O)C2=CC=C(OC)C(OC)=C2)C=C1OC.O=S(=O)([O-])[O-].[Al+3].[H-].[Li+].[Na+] | COC1=CC=C(C(O)C(C)C(C)C(O)C2=CC=C(OC)C(OC)=C2)C=C1OC | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.59.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> C1=CC=[NH+]C=C1.C1CCOC1.CCOCC.NC1=CC=C(N2C=CC=N2)C(F)=C1.[Br-] </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> NC1=CC(F)=C(N2C=CC=N2)C=C1Br </SMILES> . | C1=CC=[NH+]C=C1.C1CCOC1.CCOCC.NC1=CC=C(N2C=CC=N2)C(F)=C1.[Br-] | NC1=CC(F)=C(N2C=CC=N2)C=C1Br | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.60.None | Predict a possible product from the listed reactants and reagents. <SMILES> CC1=CC(C)=C(C2=C3N=C(C)C4=C(NCC4)N3N=C2C)C(C)=C1.CCCCS(=O)(=O)Cl.CCN(CC)CC.ClCCl.O </SMILES> | <SMILES> CCCCS(=O)(=O)N1CCC2=C1N1N=C(C)C(C3=C(C)C=C(C)C=C3C)=C1N=C2C </SMILES> | CC1=CC(C)=C(C2=C3N=C(C)C4=C(NCC4)N3N=C2C)C(C)=C1.CCCCS(=O)(=O)Cl.CCN(CC)CC.ClCCl.O | CCCCS(=O)(=O)N1CCC2=C1N1N=C(C)C(C3=C(C)C=C(C)C=C3C)=C1N=C2C | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.61.None | Consider that for a chemical reaction, if <SMILES> CCOC(C)=O.COC1=CC=C(C2=NSC(N)=C2)C=C1F.C[Al](C)C.C[C@@H]1C[C@H]1C(=O)OCC1=CC=CC=C1.Cl.ClCCl.O </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> COC1=CC=C(C2=NSC(NC(=O)[C@@H]3C[C@H]3C)=C2)C=C1F </SMILES> | CCOC(C)=O.COC1=CC=C(C2=NSC(N)=C2)C=C1F.C[Al](C)C.C[C@@H]1C[C@H]1C(=O)OCC1=CC=CC=C1.Cl.ClCCl.O | COC1=CC=C(C2=NSC(NC(=O)[C@@H]3C[C@H]3C)=C2)C=C1F | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.62.None | Predict a possible product from the listed reactants and reagents. <SMILES> CC1(C)OC[C@@H](CCCOC2=C(C(C)(C)C)C=C(SC(C)(C)SC3=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C3)C=C2C(C)(C)C)O1.CO.Cl.[K+].[OH-] </SMILES> | <SMILES> CC(C)(SC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)SC1=CC(C(C)(C)C)=C(OCCC[C@H](O)CO)C(C(C)(C)C)=C1 </SMILES> | CC1(C)OC[C@@H](CCCOC2=C(C(C)(C)C)C=C(SC(C)(C)SC3=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C3)C=C2C(C)(C)C)O1.CO.Cl.[K+].[OH-] | CC(C)(SC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)SC1=CC(C(C)(C)C)=C(OCCC[C@H](O)CO)C(C(C)(C)C)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.63.None | <SMILES> C(=NC1CCCCC1)=NC1CCCCC1.CC#N.CC(=O)OC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)O.CCN(CC)CC.CCOC(=O)C[C@H](N)C1=CC=C(C)C=C1 </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CCOC(=O)C[C@H](NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=CC=C(C)C=C1 </SMILES> . | C(=NC1CCCCC1)=NC1CCCCC1.CC#N.CC(=O)OC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)O.CCN(CC)CC.CCOC(=O)C[C@H](N)C1=CC=C(C)C=C1 | CCOC(=O)C[C@H](NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=CC=C(C)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.64.None | A chemical reaction has started with the substance(s) <SMILES> CCOCC.Cl.O=C(C1=CC=CC=C1)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CCN1C(=O)C1=CC=CC=C1.[Al+3].[H-].[Li+] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> FC1=CC=C(C(CCCN2CCN(CC3=CC=CC=C3)N(CC3=CC=CC=C3)CC2)C2=CC=C(F)C=C2)C=C1 </SMILES> . | CCOCC.Cl.O=C(C1=CC=CC=C1)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CCN1C(=O)C1=CC=CC=C1.[Al+3].[H-].[Li+] | FC1=CC=C(C(CCCN2CCN(CC3=CC=CC=C3)N(CC3=CC=CC=C3)CC2)C2=CC=C(F)C=C2)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.65.None | <SMILES> CC(C)C[Al+]CC(C)C.CCCCCC.COCCOCOC1=CC(Cl)=C(C=CC(=O)[O-])C=C1OCOCCOC.[H-] </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> C=CC1=CC(OCOCCOC)=C(OCOCCOC)C=C1Cl </SMILES> | CC(C)C[Al+]CC(C)C.CCCCCC.COCCOCOC1=CC(Cl)=C(C=CC(=O)[O-])C=C1OCOCCOC.[H-] | C=CC1=CC(OCOCCOC)=C(OCOCCOC)C=C1Cl | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.66.None | Propose a potential product given these reactants and reagents. <SMILES> CI.CN(C)C=O.NC1=CC([N+](=O)[O-])=CC=C1F.O.O=C([O-])[O-].[K+] </SMILES> | <SMILES> CN(C)C1=CC([N+](=O)[O-])=CC=C1F </SMILES> | CI.CN(C)C=O.NC1=CC([N+](=O)[O-])=CC=C1F.O.O=C([O-])[O-].[K+] | CN(C)C1=CC([N+](=O)[O-])=CC=C1F | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.67.None | <SMILES> CCO.NC1=NC(Cl)=CC(Cl)=N1.NCC1=CC=CC=C1.O=C([O-])[O-].[K+] </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> NC1=NC(Cl)=CC(NCC2=CC=CC=C2)=N1 </SMILES> . | CCO.NC1=NC(Cl)=CC(Cl)=N1.NCC1=CC=CC=C1.O=C([O-])[O-].[K+] | NC1=NC(Cl)=CC(NCC2=CC=CC=C2)=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.68.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> CC(C)(C)OC(=O)NC(COS(C)(=O)=O)C1=CC=C(Cl)C=C1.CN(C)C=O.[C-]#N.[Na+] </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> CC(C)(C)OC(=O)NC(CC#N)C1=CC=C(Cl)C=C1 </SMILES> . | CC(C)(C)OC(=O)NC(COS(C)(=O)=O)C1=CC=C(Cl)C=C1.CN(C)C=O.[C-]#N.[Na+] | CC(C)(C)OC(=O)NC(CC#N)C1=CC=C(Cl)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.69.None | Predict the product of a chemical reaction with <SMILES> CC(=O)O.CS(C)=O.O.O=[N+]([O-])/C=C/C1=CC=C(OC2=CC=CN=C2)C=C1.[BH4-].[Na+] </SMILES> as the reactants and reagents. | <SMILES> O=[N+]([O-])CCC1=CC=C(OC2=CC=CN=C2)C=C1 </SMILES> | CC(=O)O.CS(C)=O.O.O=[N+]([O-])/C=C/C1=CC=C(OC2=CC=CN=C2)C=C1.[BH4-].[Na+] | O=[N+]([O-])CCC1=CC=C(OC2=CC=CN=C2)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.70.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> CC(C)(C)C1=CC=CC=C1N1CCNCC1.CCN(C(C)C)C(C)C.Cl.ClCCl.O=C(Cl)C1=CC=CC=N1 </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> CC(C)(C)C1=CC=CC=C1N1CCN(C(=O)C2=CC=CC=N2)CC1 </SMILES> . | CC(C)(C)C1=CC=CC=C1N1CCNCC1.CCN(C(C)C)C(C)C.Cl.ClCCl.O=C(Cl)C1=CC=CC=N1 | CC(C)(C)C1=CC=CC=C1N1CCN(C(=O)C2=CC=CC=N2)CC1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.71.None | <SMILES> CC(=O)NC1=CC2=C(C=C1C#N)C(NC1=CC=C(C(=O)OC(C)(C)C)C(F)=C1)CC2.CCO.O.OO.[Na+].[OH-] </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> CC1=NC2=CC3=C(C=C2C(=O)N1)C(NC1=CC=C(C(=O)OC(C)(C)C)C(F)=C1)CC3 </SMILES> . | CC(=O)NC1=CC2=C(C=C1C#N)C(NC1=CC=C(C(=O)OC(C)(C)C)C(F)=C1)CC2.CCO.O.OO.[Na+].[OH-] | CC1=NC2=CC3=C(C=C2C(=O)N1)C(NC1=CC=C(C(=O)OC(C)(C)C)C(F)=C1)CC3 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.72.None | Propose a potential product given these reactants and reagents. <SMILES> CCN=C=NCCCN(C)C.CN(C)C=O.COCOC1=C(C(=O)O)SC2=CC(OCC3=CC=C(Cl)C=C3Cl)=CC=C12.O </SMILES> | <SMILES> COCOC1=C(C(N)=O)SC2=CC(OCC3=CC=C(Cl)C=C3Cl)=CC=C12 </SMILES> | CCN=C=NCCCN(C)C.CN(C)C=O.COCOC1=C(C(=O)O)SC2=CC(OCC3=CC=C(Cl)C=C3Cl)=CC=C12.O | COCOC1=C(C(N)=O)SC2=CC(OCC3=CC=C(Cl)C=C3Cl)=CC=C12 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.73.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> C1CCOC1.CCCCOC1=NC(N)=C2NC(=O)N(CCCCN(CCCN3CCCC3=O)CC3=CC=CC(CC(=O)OC)=C3)C2=N1.O.[Li+].[OH-] </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> CCCCOC1=NC(N)=C2NC(=O)N(CCCCN(CCCN3CCCC3=O)CC3=CC=CC(CC(=O)O)=C3)C2=N1 </SMILES> . | C1CCOC1.CCCCOC1=NC(N)=C2NC(=O)N(CCCCN(CCCN3CCCC3=O)CC3=CC=CC(CC(=O)OC)=C3)C2=N1.O.[Li+].[OH-] | CCCCOC1=NC(N)=C2NC(=O)N(CCCCN(CCCN3CCCC3=O)CC3=CC=CC(CC(=O)O)=C3)C2=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.74.None | Based on the given reactants and reagents: <SMILES> CC(C)=O.CC(C)O.O.O=S(=O)(O)O.OCCCOC1=CC(F)=CC(F)=C1.[Cr+6].[O-2] </SMILES>, what product could potentially be produced? | The product can be <SMILES> O=C(O)CCOC1=CC(F)=CC(F)=C1 </SMILES> . | CC(C)=O.CC(C)O.O.O=S(=O)(O)O.OCCCOC1=CC(F)=CC(F)=C1.[Cr+6].[O-2] | O=C(O)CCOC1=CC(F)=CC(F)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.75.None | Based on the given reactants and reagents: <SMILES> CN1C(CCl)=NC2=CC=CC=C21.COC(O)C(O)OC.COC1=CC=C(CCC2(C3CCCC3)CC(=O)CC(=O)O2)C=C1Cl.O.O=C([O-])[O-].[Na+] </SMILES>, what product could potentially be produced? | The product can be <SMILES> COC1=CC=C(CCC2(C3CCCC3)CC(=O)C(CC3=NC4=CC=CC=C4N3C)C(=O)O2)C=C1Cl </SMILES> . | CN1C(CCl)=NC2=CC=CC=C21.COC(O)C(O)OC.COC1=CC=C(CCC2(C3CCCC3)CC(=O)CC(=O)O2)C=C1Cl.O.O=C([O-])[O-].[Na+] | COC1=CC=C(CCC2(C3CCCC3)CC(=O)C(CC3=NC4=CC=CC=C4N3C)C(=O)O2)C=C1Cl | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.76.None | Given the following reactants and reagents, please provide a possible product. <SMILES> C1=CC=CC=C1.CC1=CC=C(S(=O)(=O)O)C=C1.CCC(=O)CC.CCOC(=O)C1=CN(C(CO)CO)C2=CC(NC3CCCCC3)=C(F)C=C2C1=O.O </SMILES> | <SMILES> CCOC(=O)C1=CN(C2COC(CC)(CC)OC2)C2=CC(NC3CCCCC3)=C(F)C=C2C1=O </SMILES> | C1=CC=CC=C1.CC1=CC=C(S(=O)(=O)O)C=C1.CCC(=O)CC.CCOC(=O)C1=CN(C(CO)CO)C2=CC(NC3CCCCC3)=C(F)C=C2C1=O.O | CCOC(=O)C1=CN(C2COC(CC)(CC)OC2)C2=CC(NC3CCCCC3)=C(F)C=C2C1=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.77.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> CCO.CCOC(=O)C1=C([N+](=O)[O-])C=CC(C=CN(C)C)=C1[N+](=O)[O-].[Ni] </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> CCOC(=O)C1=C(N)C=CC2=C1NC=C2 </SMILES> . | CCO.CCOC(=O)C1=C([N+](=O)[O-])C=CC(C=CN(C)C)=C1[N+](=O)[O-].[Ni] | CCOC(=O)C1=C(N)C=CC2=C1NC=C2 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.78.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CCO.CCOC(=O)C1=C([N+](=O)[O-])C=CC(/C=C/N(C)C)=C1[N+](=O)[O-].[Ni] </SMILES> . | <SMILES> CCOC(=O)C1=C(N)C=CC2=C1NC=C2 </SMILES> | CCO.CCOC(=O)C1=C([N+](=O)[O-])C=CC(/C=C/N(C)C)=C1[N+](=O)[O-].[Ni] | CCOC(=O)C1=C(N)C=CC2=C1NC=C2 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.79.None | Propose a potential product given these reactants and reagents. <SMILES> C1=NNC=N1.CC#N.CC(C)(COC1=CC=C(Cl)C=C1)C(=O)C(Br)OC1=CC=C(Cl)C=C1.CC(C)=O.O.O=S(=O)(O)C1=CC=CC2=C(S(=O)(=O)O)C=CC=C12 </SMILES> | <SMILES> CC(C)(COC1=CC=C(Cl)C=C1)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 </SMILES> | C1=NNC=N1.CC#N.CC(C)(COC1=CC=C(Cl)C=C1)C(=O)C(Br)OC1=CC=C(Cl)C=C1.CC(C)=O.O.O=S(=O)(O)C1=CC=CC2=C(S(=O)(=O)O)C=CC=C12 | CC(C)(COC1=CC=C(Cl)C=C1)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.80.None | <SMILES> NCCN.O=[N+]([O-])C1=CC=C(Cl)C(S(=O)(=O)CCO)=C1 </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> NCCNC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)CCO </SMILES> . | NCCN.O=[N+]([O-])C1=CC=C(Cl)C(S(=O)(=O)CCO)=C1 | NCCNC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)CCO | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.81.None | <SMILES> CC1=CC=C2C(Cl)=CC=NC2=N1.COC1=CC=C(SC2=CC=C(C)C=C2N)C=C1OC </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> COC1=CC=C(SC2=CC=C(C)C=C2NC2=CC=NC3=NC(C)=CC=C23)C=C1OC </SMILES> . | CC1=CC=C2C(Cl)=CC=NC2=N1.COC1=CC=C(SC2=CC=C(C)C=C2N)C=C1OC | COC1=CC=C(SC2=CC=C(C)C=C2NC2=CC=NC3=NC(C)=CC=C23)C=C1OC | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.82.None | Based on the given reactants and reagents: <SMILES> CCO.CC[O-].COC1=CC=C(NC(=S)NNC(=O)C2=CC=CS2)C=C1.[Na+] </SMILES>, what product could potentially be produced? | The product can be <SMILES> COC1=CC=C(N2C(C3=CC=CS3)=NNC2=S)C=C1 </SMILES> . | CCO.CC[O-].COC1=CC=C(NC(=S)NNC(=O)C2=CC=CS2)C=C1.[Na+] | COC1=CC=C(N2C(C3=CC=CS3)=NNC2=S)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.83.None | Based on the given reactants and reagents: <SMILES> CCN(CC)CC.ClCBr.OCC1=CC=C(S)C=C1 </SMILES>, what product could potentially be produced? | The product can be <SMILES> OCC1=CC=C(SCCl)C=C1 </SMILES> . | CCN(CC)CC.ClCBr.OCC1=CC=C(S)C=C1 | OCC1=CC=C(SCCl)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.84.None | <SMILES> CC(=O)CC(C)C.CO[C@@H]1CNCC[C@@H]1NC(=O)C1=CC=CC=C1.C[N+](C)=C1OCCC1(C1=CC=CC=C1)C1=CC=CC=C1.O.O=C([O-])[O-].[Br-].[I-].[K+].[Na+] </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CO[C@@H]1CN(CCC(C(=O)N(C)C)(C2=CC=CC=C2)C2=CC=CC=C2)CC[C@@H]1NC(=O)C1=CC=CC=C1 </SMILES> | CC(=O)CC(C)C.CO[C@@H]1CNCC[C@@H]1NC(=O)C1=CC=CC=C1.C[N+](C)=C1OCCC1(C1=CC=CC=C1)C1=CC=CC=C1.O.O=C([O-])[O-].[Br-].[I-].[K+].[Na+] | CO[C@@H]1CN(CCC(C(=O)N(C)C)(C2=CC=CC=C2)C2=CC=CC=C2)CC[C@@H]1NC(=O)C1=CC=CC=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.85.None | Predict a possible product from the listed reactants and reagents. <SMILES> CN1N=NC2=C(N)C(N)=CC=C21.Cl.O.O=C(O)C(=O)O </SMILES> | <SMILES> CN1N=NC2=C3N=C(O)C(O)=NC3=CC=C21 </SMILES> | CN1N=NC2=C(N)C(N)=CC=C21.Cl.O.O=C(O)C(=O)O | CN1N=NC2=C3N=C(O)C(O)=NC3=CC=C21 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.86.None | A chemical reaction has started with the substance(s) <SMILES> CC(=O)NC1=CC=C(OCCCCl)C=C1.CN(C)C=O.N#N.OC1=CC=C(Cl)C(Cl)=C1.[H-].[Na+] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC(=O)NC1=CC=C(OCCCOC2=CC=C(Cl)C(Cl)=C2)C=C1 </SMILES> . | CC(=O)NC1=CC=C(OCCCCl)C=C1.CN(C)C=O.N#N.OC1=CC=C(Cl)C(Cl)=C1.[H-].[Na+] | CC(=O)NC1=CC=C(OCCCOC2=CC=C(Cl)C(Cl)=C2)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.87.None | Consider that for a chemical reaction, if <SMILES> CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C1=CC=NC=C1.CS(N)(=O)=O.C[C@@H]1CN(CC2=CC=C(F)C=C2)[C@@H](C)CN1C(=O)COC1=CC=C(Cl)C=C1CC(=O)O.Cl.ClCCl </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> C[C@@H]1CN(CC2=CC=C(F)C=C2)[C@@H](C)CN1C(=O)COC1=CC=C(Cl)C=C1CC(=O)NS(C)(=O)=O </SMILES> | CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C1=CC=NC=C1.CS(N)(=O)=O.C[C@@H]1CN(CC2=CC=C(F)C=C2)[C@@H](C)CN1C(=O)COC1=CC=C(Cl)C=C1CC(=O)O.Cl.ClCCl | C[C@@H]1CN(CC2=CC=C(F)C=C2)[C@@H](C)CN1C(=O)COC1=CC=C(Cl)C=C1CC(=O)NS(C)(=O)=O | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.88.None | Predict a possible product from the listed reactants and reagents. <SMILES> Cl.OCCCNC1CCCCC1C(O)C1=CC=CC=C1.[Na+].[OH-] </SMILES> | <SMILES> OCCCNC1CCCCC1=CC1=CC=CC=C1 </SMILES> | Cl.OCCCNC1CCCCC1C(O)C1=CC=CC=C1.[Na+].[OH-] | OCCCNC1CCCCC1=CC1=CC=CC=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.89.None | <SMILES> C1=CC=NC=C1.CC1=CC=C(S(=O)(=O)Cl)C=C1.CC1=NN(C)C(C(=O)NC2=CC(OC3=CC=C(N)N=C3)=CC=C2C)=C1 </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CC1=CC=C(S(=O)(=O)NC2=CC=C(OC3=CC=C(C)C(NC(=O)C4=CC(C)=NN4C)=C3)C=N2)C=C1 </SMILES> . | C1=CC=NC=C1.CC1=CC=C(S(=O)(=O)Cl)C=C1.CC1=NN(C)C(C(=O)NC2=CC(OC3=CC=C(N)N=C3)=CC=C2C)=C1 | CC1=CC=C(S(=O)(=O)NC2=CC=C(OC3=CC=C(C)C(NC(=O)C4=CC(C)=NN4C)=C3)C=N2)C=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.90.None | <SMILES> CC(C)=O.CC1(C)S[C@@H]2C(NC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2C1C1=NN=NN1.CC1=CC=C(S(=O)(=O)O)C=C1.CCOCC.O </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CC1(C)S[C@@H]2C(N)C(=O)N2C1C1=NN=NN1 </SMILES> . | CC(C)=O.CC1(C)S[C@@H]2C(NC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2C1C1=NN=NN1.CC1=CC=C(S(=O)(=O)O)C=C1.CCOCC.O | CC1(C)S[C@@H]2C(N)C(=O)N2C1C1=NN=NN1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.91.None | <SMILES> CCOC(=O)C1=C(CBr)NC(N2C=NC=N2)=NC1C1=CC=C(F)C=C1Br.Cl.O=C(O)C1CNCCO1 </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CCOC(=O)C1=C(CN2CCOC(C(=O)O)C2)NC(N2C=NC=N2)=NC1C1=CC=C(F)C=C1Br </SMILES> . | CCOC(=O)C1=C(CBr)NC(N2C=NC=N2)=NC1C1=CC=C(F)C=C1Br.Cl.O=C(O)C1CNCCO1 | CCOC(=O)C1=C(CN2CCOC(C(=O)O)C2)NC(N2C=NC=N2)=NC1C1=CC=C(F)C=C1Br | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.92.None | <SMILES> C1CCOC1.CCOC(C)=O.COCOC1=CC=CC2=C1C1CC1(C)C(=O)O2.[Al+3].[H-].[Li+] </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> COCOC1=CC=CC(O)=C1C1CC1(C)CO </SMILES> . | C1CCOC1.CCOC(C)=O.COCOC1=CC=CC2=C1C1CC1(C)C(=O)O2.[Al+3].[H-].[Li+] | COCOC1=CC=CC(O)=C1C1CC1(C)CO | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.93.None | Predict a possible product from the listed reactants and reagents. <SMILES> C1CCOC1.CC(C)(C)OC(=O)NCC1CCC(=O)CC1.CCN(CC)S(F)(F)F </SMILES> | <SMILES> CC(C)(C)OC(=O)NCC1CC=C(F)CC1 </SMILES> | C1CCOC1.CC(C)(C)OC(=O)NCC1CCC(=O)CC1.CCN(CC)S(F)(F)F | CC(C)(C)OC(=O)NCC1CC=C(F)CC1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.94.None | A chemical reaction has started with the substance(s) <SMILES> CC(C)(C)O.CC1=CN=CC(C(=O)O)=C1.CCN(C(C)C)C(C)C.[N-]=[N+]=NP(=O)(C1=CC=CC=C1)C1=CC=CC=C1 </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC1=CN=CC(NC(=O)OC(C)(C)C)=C1 </SMILES> . | CC(C)(C)O.CC1=CN=CC(C(=O)O)=C1.CCN(C(C)C)C(C)C.[N-]=[N+]=NP(=O)(C1=CC=CC=C1)C1=CC=CC=C1 | CC1=CN=CC(NC(=O)OC(C)(C)C)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.95.None | Predict a possible product from the listed reactants and reagents. <SMILES> NN1CCCCC1.O=C(O)C1=CN=C(C2CC2)C(C2=CC=CC(Cl)=C2)=N1 </SMILES> | <SMILES> O=C(NN1CCCCC1)C1=CN=C(C2CC2)C(C2=CC=CC(Cl)=C2)=N1 </SMILES> | NN1CCCCC1.O=C(O)C1=CN=C(C2CC2)C(C2=CC=CC(Cl)=C2)=N1 | O=C(NN1CCCCC1)C1=CN=C(C2CC2)C(C2=CC=CC(Cl)=C2)=N1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.96.None | A chemical reaction has started with the substance(s) <SMILES> CC1=NN(C)C(NC(=O)OC(C)(C)C)=C1F.ClCCl.O=C(O)C(F)(F)F </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC1=NN(C)C(N)=C1F </SMILES> . | CC1=NN(C)C(NC(=O)OC(C)(C)C)=C1F.ClCCl.O=C(O)C(F)(F)F | CC1=NN(C)C(N)=C1F | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.97.None | A chemical reaction has started with the substance(s) <SMILES> CC1=CC=C(N2N=CC=N2)C(C(=O)O)=C1.CCN(C(C)C)C(C)C.CN(C)C(ON1N=NC2=CC=CC=C21)=[N+](C)C.CN(C)C=O.Cl.F[B-](F)(F)F.NC1CCCC1CC1=CC=C(C(F)(F)F)C=N1 </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC1=CC=C(N2N=CC=N2)C(C(=O)NC2CCCC2CC2=CC=C(C(F)(F)F)C=N2)=C1 </SMILES> . | CC1=CC=C(N2N=CC=N2)C(C(=O)O)=C1.CCN(C(C)C)C(C)C.CN(C)C(ON1N=NC2=CC=CC=C21)=[N+](C)C.CN(C)C=O.Cl.F[B-](F)(F)F.NC1CCCC1CC1=CC=C(C(F)(F)F)C=N1 | CC1=CC=C(N2N=CC=N2)C(C(=O)NC2CCCC2CC2=CC=C(C(F)(F)F)C=N2)=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.98.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> C1=CC=NC=C1.CC(=O)OC(C)=O.CC(O)C1=CS[C@@H]2C(NC(=O)CC3=CC=CS3)C(=O)N2C1C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1.ClCCl </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> CC(=O)OC(C)C1=CS[C@@H]2C(NC(=O)CC3=CC=CS3)C(=O)N2C1C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1 </SMILES> . | C1=CC=NC=C1.CC(=O)OC(C)=O.CC(O)C1=CS[C@@H]2C(NC(=O)CC3=CC=CS3)C(=O)N2C1C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1.ClCCl | CC(=O)OC(C)C1=CS[C@@H]2C(NC(=O)CC3=CC=CS3)C(=O)N2C1C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1 | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.test.99.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CC#N.CC(C)(C)[O-].CC1=CC=CC=C1.COC(=O)C1=CC=CN1C.[K+] </SMILES> . | <SMILES> CN1C=CC=C1C(=O)CC#N </SMILES> | CC#N.CC(C)(C)[O-].CC1=CC=CC=C1.COC(=O)C1=CC=CN1C.[K+] | CN1C=CC=C1C(=O)CC#N | test | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
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