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The dataset generation failed because of a cast error
Error code: DatasetGenerationCastError
Exception: DatasetGenerationCastError
Message: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 1 missing columns ({'dataset'})
This happened while the csv dataset builder was generating data using
zip://RCR_TS/test.csv::/tmp/hf-datasets-cache/medium/datasets/71725403232132-config-parquet-and-info-yujieq-TextReact-101a03a9/downloads/04160d5706aa2d2d45ba8946b97b90f547ef4e9372f11f751da5091db3b732b5
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback: Traceback (most recent call last):
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2011, in _prepare_split_single
writer.write_table(table)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 585, in write_table
pa_table = table_cast(pa_table, self._schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2302, in table_cast
return cast_table_to_schema(table, schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2256, in cast_table_to_schema
raise CastError(
datasets.table.CastError: Couldn't cast
id: string
corpus_id: string
source: string
canonical_rxn: string
catalyst1: string
solvent1: string
solvent2: string
reagent1: string
reagent2: string
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1305
to
{'id': Value(dtype='string', id=None), 'corpus_id': Value(dtype='string', id=None), 'source': Value(dtype='string', id=None), 'canonical_rxn': Value(dtype='string', id=None), 'catalyst1': Value(dtype='string', id=None), 'solvent1': Value(dtype='string', id=None), 'solvent2': Value(dtype='string', id=None), 'reagent1': Value(dtype='string', id=None), 'reagent2': Value(dtype='string', id=None), 'dataset': Value(dtype='string', id=None)}
because column names don't match
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1321, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 935, in convert_to_parquet
builder.download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1027, in download_and_prepare
self._download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1122, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1882, in _prepare_split
for job_id, done, content in self._prepare_split_single(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2013, in _prepare_split_single
raise DatasetGenerationCastError.from_cast_error(
datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 1 missing columns ({'dataset'})
This happened while the csv dataset builder was generating data using
zip://RCR_TS/test.csv::/tmp/hf-datasets-cache/medium/datasets/71725403232132-config-parquet-and-info-yujieq-TextReact-101a03a9/downloads/04160d5706aa2d2d45ba8946b97b90f547ef4e9372f11f751da5091db3b732b5
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)Need help to make the dataset viewer work? Open a discussion for direct support.
id
string | corpus_id
string | source
string | canonical_rxn
string | catalyst1
null | solvent1
string | solvent2
string | reagent1
string | reagent2
null | dataset
string |
|---|---|---|---|---|---|---|---|---|---|
US04456752_2 | US04456752_2 | US04456752 | CCOC(=O)c1cnc2n(c1=O)C(C)CCC2(Br)Br.NNC(=O)c1ccc2c(c1)OCO2>>CCOC(=O)c1cnc2n(c1=O)C(C)CCC2=NNC(=O)c1ccc2c(c1)OCO2 | null | c1ccncc1 | null | null | null | test |
US04038405_0 | US04038405_0 | US04038405 | CCOC(=O)C(F)(F)F.CCOC=Nc1ccc(Cl)cc1.NN>>FC(F)(F)c1nncn1-c1ccc(Cl)cc1 | null | CCO | O | null | null | test |
US20140315881A1_157 | US20140315881A1_157 | US20140315881A1 | C#CC(=O)OCC.Cc1ccc(C(NC(=O)Cc2ccc3oc(C(=O)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1>>CCOC(=O)C#CC(O)(c1cc2cc(CC(=O)NC(c3ccccc3)c3ccc(C)cc3C)ccc2o1)c1c(C)noc1C | null | C1CCOC1 | null | C[Si](C)(C)[N-][Si](C)(C)C.[Li+] | null | test |
US07199243B2_70 | US07199243B2_70 | US07199243B2 | CCOC(=O)CNc1cc(C2CCCNC2)ccc1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O>>CCOC(=O)CNc1cc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)ccc1C | null | ClCCl | null | CCN=C=NCCCN(C)C | null | test |
US07799814B2_18 | US07799814B2_18 | US07799814B2 | NNC(=O)c1ccc([N+](=O)[O-])cc1.O=C(n1ccnc1)n1ccnc1>>O=[N+]([O-])c1ccc(-c2nnc(O)o2)cc1 | null | CN(C)C=O | ClCCl | CCN(CC)CC | null | test |
US06436171B1_0 | US06436171B1_0 | US06436171B1 | Cc1ccccc1.NCCN.O=Cc1ccccc1O>>Oc1ccccc1C=NCCN=Cc1ccccc1O | null | Cc1ccccc1 | null | CC(=O)O | null | test |
US07414076B2_16 | US07414076B2_16 | US07414076B2 | COc1cccc(CN)c1OC.O=S1(=O)CCCO1>>COc1cccc(CNCCCS(=O)(=O)O)c1OC | null | CCC(C)=O | null | null | null | test |
US08143263B2_33 | US08143263B2_33 | US08143263B2 | COC[C@H](C)OC[C@H](O)C(=O)Nc1ccc(C)cn1.Clc1ccccc1-n1ncc2c(Cl)ncnc21>>COC[C@H](C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1 | null | C1CCOC1 | CCOC(C)=O | [H-].[Na+] | null | test |
US06090846_1 | US06090846_1 | US06090846 | CC(C)(C)OC(=O)N=COCNCCC[C@H](N)C(=O)OC(C)(C)C.Cl.Cl>>Cl.Cl.N=COCNCCC[C@H](N)C(=O)O | null | C1COCCO1 | null | N#N | null | test |
US20070191431A1_3 | US20070191431A1_3 | US20070191431A1 | CN1C(=O)C(c2ccncc2)(c2cccc(-c3ccccc3)c2)N=C1N.Cl>>CN1C(=O)C(c2cccc(C3CCCCC3)c2)(C2CCNCC2)N=C1N.Cl | null | CCO | null | null | null | test |
US20110301122A1_16 | US20110301122A1_16 | US20110301122A1 | CC(C)NC(C)C.N#Cc1ccc(CBr)cc1>>CC(C)N(Cc1ccc(C#N)cc1)C(C)C | null | Cc1ccccc1 | null | null | null | test |
US06413995B1_26 | US06413995B1_26 | US06413995B1 | CCOC(=O)C(F)(F)F.Nc1ccc(C=CC(=O)O)cc1>>O=C(O)C=Cc1ccc(NC(=O)C(F)(F)F)cc1 | null | CO | null | CCN(CC)CC | null | test |
US08927688B2_27 | US08927688B2_27 | US08927688B2 | Nc1nnc(Br)s1.O=C(CBr)c1cc2c(OCc3csc(-c4ccccc4)n3)cc(F)cc2o1>>Fc1cc(OCc2csc(-c3ccccc3)n2)c2cc(-c3cn4nc(Br)sc4n3)oc2c1 | null | CC(C)O | null | ClCCl | null | test |
US06184242B2_12 | US06184242B2_12 | US06184242B2 | Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1.O=C1CCC(=O)N1Br>>O=C(c1ccc(CBr)cc1)c1ccc([N+](=O)[O-])cc1 | null | ClC(Cl)(Cl)Cl | null | null | null | test |
US08440658B2_0 | US08440658B2_0 | US08440658B2 | C[C@H](N)C(C)(C)C.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl>>C[C@H](N=C=O)C(C)(C)C | null | ClCCl | null | OC(=O)[O-].[Na+] | null | test |
US08110579B2_6 | US08110579B2_6 | US08110579B2 | CCOC(=O)c1ccc(-c2c(OC)cccc2OC)c(-c2ccc(Cl)c(OCCCN(C)C)c2)n1>>COc1cccc(OC)c1-c1ccc(C(=O)O)nc1-c1ccc(Cl)c(OCCCN(C)C)c1 | null | CCO | null | Cl | null | test |
US09199939B2_2 | US09199939B2_2 | US09199939B2 | O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2n1.O=C(OO)c1cccc(Cl)c1>>O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2[n+]1[O-] | null | ClCCl | null | null | null | test |
US08552027B2_2 | US08552027B2_2 | US08552027B2 | BrC(C=Nc1ccccc1)=C[NH2+]c1ccccc1.O=C(O)CS.[Br-]>>O=C(O)CSC(C=Nc1ccccc1)=C[NH2+]c1ccccc1.[Br-] | null | CO | O | Cl | null | test |
US08263635B2_97 | US08263635B2_97 | US08263635B2 | Cc1ccncc1N1CCNC1=O.Cc1nc2cc(Br)ccc2o1>>Cc1nc2cc(N3CCN(c4cnccc4C)C3=O)ccc2o1 | null | C1COCCO1 | null | N[C@@H]1CCCC[C@H]1N | null | test |
US09255090B2_26 | US09255090B2_26 | US09255090B2 | CC(=O)Oc1ccc(OC(C)C)cc1.O=C1CCC(=O)N1Br>>CC(=O)Oc1ccc(OC(C)C)c(Br)c1 | null | CC#N | null | null | null | test |
US04443466_9 | US04443466_9 | US04443466 | Cc1ccccc1Cc1cn(Cc2ccccc2)cn1>>Cc1ccccc1Cc1c[nH]cn1 | null | CCO | null | [H][H] | null | test |
US04670438_0 | US04670438_0 | US04670438 | COc1cc(OS(C)(=O)=O)ccc1-c1nc2ncccc2[nH]1.OO>>COc1cc(OS(C)(=O)=O)ccc1-c1nc2c(ccc[n+]2[O-])[nH]1 | null | O=C(O)C(F)(F)F | null | null | null | test |
US06521643B1_39 | US06521643B1_39 | US06521643B1 | Cc1ccnc(C(=O)C(C)Cl)c1.NC(=S)N=C(N)N>>Cc1ccnc(-c2nc(NC(=N)N)sc2C)c1 | null | CCO | null | null | null | test |
US20140288051A1_82 | US20140288051A1_82 | US20140288051A1 | Cn1ncc2c1CC(C(=O)OC(C)(C)C)CN2O.O=C1c2ccccc2C(=O)N1O>>Cn1ncc2c1CN(C(=O)OC(C)(C)C)CC2ON1C(=O)c2ccccc2C1=O | null | C1CCOC1 | null | CC(C)OC(=O)/N=N/C(=O)OC(C)C | null | test |
US20120059002A1_98 | US20120059002A1_98 | US20120059002A1 | COc1ccc2c(=O)[nH]c(-c3cc(C)c(OCCO[Si](C)(C)C(C)(C)C)c(C)c3)nc2c1>>COc1ccc2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1 | null | O | null | CCCC[N+](CCCC)(CCCC)CCCC.[F-] | null | test |
US20160264579A1_13 | US20160264579A1_13 | US20160264579A1 | CC(C)(C)[Si](C)(C)Cl.COC(=O)c1cccn([C@@H](CO)c2ccccc2)c1=O>>COC(=O)c1cccn([C@@H](CO[Si](C)(C)C(C)(C)C)c2ccccc2)c1=O | null | ClCCl | null | c1c[nH]cn1 | null | test |
US20090124636A1_1 | US20090124636A1_1 | US20090124636A1 | N[C@@H]1CCN(Cc2ccccc2)C1.O=Cc1ccccc1>>c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1 | null | ClCCl | null | CC(=O)O | null | test |
US08524766B2_42 | US08524766B2_42 | US08524766B2 | Cc1ccc(S(=O)(=O)OCC2COc3c(F)cc(S(C)(=O)=O)cc3O2)cc1.NCCO>>CS(=O)(=O)c1cc(F)c2c(c1)OC(CNCCO)CO2 | null | CC#N | null | null | null | test |
US08846702B2_24 | US08846702B2_24 | US08846702B2 | O=C([O-])C(F)(F)Cl.O=c1c2cc(Cc3ccc(O)nc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O>>O=c1c2cc(Cc3ccc(OC(F)F)nc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O | null | CC#N | CCOC(C)=O | CN(C)C=O | null | test |
US08475937B2_2 | US08475937B2_2 | US08475937B2 | C=CCc1ccc(C)s1.Cl[SiH](Cl)Cl>>Cc1ccc(CCC[Si](Cl)(Cl)Cl)s1 | null | Cc1ccccc1 | null | null | null | test |
US20150361060A1_7 | US20150361060A1_7 | US20150361060A1 | NCC(=O)N1C2CCCC1CC2>>NCCN1C2CCCC1CC2 | null | C1CCOC1 | null | [Al+3].[H-].[H-].[H-].[H-].[Li+] | null | test |
US07517906B2_8 | US07517906B2_8 | US07517906B2 | CC(C)(C)OC(=O)NC(C(=O)N1CCCC1Cc1cn(CCOCCn2cc(CC3CCCN3C(=O)C(NC(=O)OC(C)(C)C)C3CCCCC3)c3ccccc32)c2ccccc12)C1CCCCC1>>NC(C(=O)N1CCCC1Cc1cn(CCOCCn2cc(CC3CCCN3C(=O)C(N)C3CCCCC3)c3ccccc32)c2ccccc12)C1CCCCC1 | null | ClCCl | null | O=C(O)C(F)(F)F | null | test |
US07226923B2_8 | US07226923B2_8 | US07226923B2 | CC(C)n1nc(Br)c2ccc(S)cc2c1=O.CI>>CSc1ccc2c(Br)nn(C(C)C)c(=O)c2c1 | null | C1CCOC1 | null | [H-].[Na+] | null | test |
US08129361B2_138 | US08129361B2_138 | US08129361B2 | CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccc(F)cc3F)c(C(F)(F)F)c2)COC(C)(C)OC1.Cl>>Cl.NC(CO)(CO)CCc1ccc(OCCCc2ccc(F)cc2F)c(C(F)(F)F)c1 | null | CCO | null | null | null | test |
US05151497_4 | US05151497_4 | US05151497 | C[C@@H]1CC(=O)N[C@@H]1C(=O)O.NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1>>C[C@@H]1CC(=O)N[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O | null | CN(C)C=O | null | C(=NC1CCCCC1)=NC1CCCCC1 | null | test |
US05436229_7 | US05436229_7 | US05436229 | CCOC(=O)NC(C)(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1>>CCOC(=O)NC(C)(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O | null | C1COCCO1 | O | [Li]O | null | test |
US08420684B2_3 | US08420684B2_3 | US08420684B2 | N#CO[K].Nc1ccc2[nH]cnc2c1.O=Cc1ccc(Cl)cc1.[C-]#[N+]Cc1ccccc1>>O=C1NC(=NCc2ccccc2)C(c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1 | null | CO | null | Cl | null | test |
US09365540B2_265 | US09365540B2_265 | US09365540B2 | CCOC(=O)c1nc(C(F)F)cs1>>OCc1nc(C(F)F)cs1 | null | CO | null | [BH4-].[Na+] | null | test |
US20060293343A1_20 | US20060293343A1_20 | US20060293343A1 | CCOC(=O)Cc1ccc(Nc2nc(-c3ccc(C(C)=O)s3)nc(C)c2CC)cc1>>CCOC(=O)Cc1ccc(Nc2nc(-c3ccc(C(C)O)s3)nc(C)c2CC)cc1 | null | CO | null | [BH4-].[Na+] | null | test |
US08519136B2_19 | US08519136B2_19 | US08519136B2 | CC(C)(C)OC(=O)NNC(=O)C1(Cc2cccc(Nc3ccnn3C(C)(C)C)n2)CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1>>CC(C)(C)n1nccc1Nc1cccc(CC2(C(=O)NN)CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)n1 | null | ClC(Cl)Cl | null | O=C(O)C(F)(F)F | null | test |
US20040102450A1_56 | US20040102450A1_56 | US20040102450A1 | CC(C)(C)OC(=O)N1CCN(CCN)C(=O)C1.CN1CCOCC1.O=[N+]([O-])c1c(Cl)c(Cl)nc(Cl)c1Cl>>O=C1CNCCN1CCNc1ccncc1 | null | ClCCl | null | null | null | test |
US20160157491A1_32 | US20160157491A1_32 | US20160157491A1 | CN(C)C=O.FC(F)(F)Oc1ccc(-n2ncc3c2CCc2cc(Br)ccc2-3)cc1>>O=Cc1ccc2c(c1)CCc1c-2cnn1-c1ccc(OC(F)(F)F)cc1 | null | C1CCOC1 | null | [Li]CCCC | null | test |
US05780483_7 | US05780483_7 | US05780483 | COc1ccsc1C(=O)O.Nc1cc([N+](=O)[O-])ccc1O.[N-]=[N+]=NP(=O)(Oc1ccccc1)Oc1ccccc1>>COc1ccsc1NC(=O)Nc1cc([N+](=O)[O-])ccc1O | null | c1ccccc1 | null | CCN(CC)CC | null | test |
US20160222014A1_88 | US20160222014A1_88 | US20160222014A1 | C[C@H]1CN(c2ccc(Nc3ncc4ccn(Cc5ccccc5N(C)S(C)(=O)=O)c4n3)cc2)CCN1.C[C@H]1CO1>>C[C@H](O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5ccccc5N(C)S(C)(=O)=O)c4n3)cc2)C[C@@H]1C | null | CO | null | null | null | test |
US09096580B2_3 | US09096580B2_3 | US09096580B2 | CC(C)(C)OC(=O)N1CC(NS(=O)C(C)(C)C)(C(=N)N)C1.CN(C)/C=C/C=O>>CC(C)(C)OC(=O)N1CC(NS(=O)C(C)(C)C)(c2ncccn2)C1 | null | CO | null | C[O-].[Na+] | null | test |
US20100125087A1_8 | US20100125087A1_8 | US20100125087A1 | BrCCC1OCCO1.COC(=O)c1cccc(O)c1>>COC(=O)c1cccc(OCCC2OCCO2)c1 | null | CN(C)C=O | null | [H-].[Na+] | null | test |
US08242125B2_27 | US08242125B2_27 | US08242125B2 | CC1c2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)c2CCN1C(=O)OC(C)(C)C>>CC1NCCc2c(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)ncnc21 | null | ClCCl | null | O=C(O)C(F)(F)F | null | test |
US07435837B2_3 | US07435837B2_3 | US07435837B2 | COc1ccc(CC(O)COS(=O)(=O)c2ccc(C)cc2)c(OCc2ccccc2)c1>>COc1ccc(CC(O)COS(=O)(=O)c2ccc(C)cc2)c(O)c1 | null | CCO | null | null | null | test |
US05114944_14 | US05114944_14 | US05114944 | CN.Cc1ccc(-c2nn3cccnc3c2CC(=O)n2ccnc2)cc1>>CNC(=O)Cc1c(-c2ccc(C)cc2)nn2cccnc12 | null | C1CCOC1 | O | null | null | test |
US06348474B1_85 | US06348474B1_85 | US06348474B1 | CCOC(=O)c1ccc2[nH]c(=O)c(=O)n(Cc3ccc(Cl)cc3Cl)c2c1.CI>>CCOC(=O)c1ccc2c(c1)n(Cc1ccc(Cl)cc1Cl)c(=O)c(=O)n2C | null | CC(C)=O | null | O=C([O-])[O-].[K+].[K+] | null | test |
US07109354B2_63 | US07109354B2_63 | US07109354B2 | COC(=O)CC(=O)Cl.CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2N)c1>>COC(=O)CC(=O)Nc1cccc(C)c1-c1cccc(S(=O)(=O)c2cc(C(=N)NC(=O)OC(C)(C)C)sc2SC)c1 | null | CCOC(C)=O | null | C1CCOC1 | null | test |
US20160002224A1_72 | US20160002224A1_72 | US20160002224A1 | C[Si](C)(C)CCOCn1c(Cl)cc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc21.O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O>>C[Si](C)(C)CCOCn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc21 | null | CCOC(C)=O | CS(C)=O | C1COCCO1 | null | test |
US09062078B2_32 | US09062078B2_32 | US09062078B2 | Cc1cc(C)nc(NC2CC3CCC2N3C(=O)OC(C)(C)C)n1>>Cc1cc(C)nc(NC2CC3CCC2N3)n1 | null | ClCCl | null | O=C(O)C(F)(F)F | null | test |
US20150191478A1_30 | US20150191478A1_30 | US20150191478A1 | CCOC(OCC)c1cc2cncc(-c3cccc(Oc4cncnc4)c3)c2o1>>O=Cc1cc2cncc(-c3cccc(Oc4cncnc4)c3)c2o1 | null | C1CCOC1 | null | Cl | null | test |
US09173396B2_8 | US09173396B2_8 | US09173396B2 | Brc1cccc(-c2ncccn2)n1.CC1(C)OB(c2coc(-c3cccnc3)c2)OC1(C)C>>c1cnc(-c2cccc(-c3coc(-c4cccnc4)c3)n2)nc1 | null | C1COCCO1 | null | O | null | test |
US20100311790A1_5 | US20100311790A1_5 | US20100311790A1 | C=CCCCCCCBr.O=C(NCc1cccc(O)c1F)c1ccc2ncccc2c1>>C=CCCCCCCOc1cccc(CNC(=O)c2ccc3ncccc3c2)c1F | null | O | null | CN(C)C=O | null | test |
US20100144786A1_19 | US20100144786A1_19 | US20100144786A1 | CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(C#N)cc1.FC(F)Cl>>CCc1nc2c(Cl)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(C#N)cc1 | null | CN(C)C=O | null | O=C([O-])[O-].[K+].[K+] | null | test |
US20120208819A1_120 | US20120208819A1_120 | US20120208819A1 | CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccc(-c3ccc([N+](=O)[O-])s3)cc12>>CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccc(-c3ccc(N)s3)cc12 | null | CO | null | null | null | test |
US08835420B2_1 | US08835420B2_1 | US08835420B2 | Brc1cnc2cc[nH]c2c1.Cc1ccc(S(=O)(=O)Cl)cc1>>Cc1ccc(S(=O)(=O)n2ccc3ncc(Br)cc32)cc1 | null | CN(C)C=O | ClCCl | [H-].[Na+] | null | test |
US20050020559A1_5 | US20050020559A1_5 | US20050020559A1 | C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C.COCCOCCN>>C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCOCCOC)C(CCC(=O)OC)C3C | null | ClCCl | null | null | null | test |
US06528543B1_7 | US06528543B1_7 | US06528543B1 | CO.O=C(O)C(CC1CCCC1)c1ccc(Br)cc1>>COC(=O)C(CC1CCCC1)c1ccc(Br)cc1 | null | null | null | null | null | test |
US08247569B2_19 | US08247569B2_19 | US08247569B2 | COc1ccc(NN)cc1.Cc1ccc(C(=O)C#CC2(COCc3ccccc3)CCC3(CC2)OCCO3)cc1>>COc1ccc(-n2nc(C3(COCc4ccccc4)CCC4(CC3)OCCO4)cc2-c2ccc(C)cc2)cc1 | null | CCO | null | CCN(CC)CC | null | test |
US20130225591A1_4 | US20130225591A1_4 | US20130225591A1 | Cl.O=[N+]([O-])c1ncn2c(C(F)(F)F)csc12>>Cl.Nc1ncn2c(C(F)(F)F)csc12 | null | CCOCC | null | CCOC(C)=O | null | test |
US07465731B2_32 | US07465731B2_32 | US07465731B2 | CCOC(=O)/C=C/c1ccc(N(C(=O)OC(C)(C)C)[C@@H]2CCN(C(c3ccccc3)c3ccccc3)C2)nc1>>CC(C)(C)OC(=O)N(c1ccc(/C=C/C(=O)O)cn1)[C@@H]1CCN(C(c2ccccc2)c2ccccc2)C1 | null | CO | null | [Na+].[OH-] | null | test |
US09199982B2_127 | US09199982B2_127 | US09199982B2 | CCOc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1C1CN(C(=O)OC(C)(C)C)C1.Cl.ClCCl>>CCOc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1C1CNC1.Cl.Cl | null | ClCCl | null | C1COCCO1 | null | test |
US06172057B2_7 | US06172057B2_7 | US06172057B2 | BrCc1ccccc1.CCOC(=O)CS(=O)(=O)c1ccc(OC)cc1>>CCOC(=O)C(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 | null | CC(C)=O | null | C1COCCOCCOCCOCCOCCO1 | null | test |
US07919628B2_68 | US07919628B2_68 | US07919628B2 | BrC(Br)(Br)Br.OCc1ccc(Br)nc1>>BrCc1ccc(Br)nc1 | null | ClCCl | null | c1ccc(P(c2ccccc2)c2ccccc2)cc1 | null | test |
US20080241943A1_0 | US20080241943A1_0 | US20080241943A1 | Br[Mg]c1ccccc1.O=C1OC(=O)c2ccccc21.c1ccccc1>>O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21 | null | c1ccccc1 | null | Cl | null | test |
US07459472B2_8 | US07459472B2_8 | US07459472B2 | COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N[C@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)N(C)OC.C[Mg]Br>>COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N[C@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(C)=O | null | C1CCOC1 | null | null | null | test |
US07858646B2_6 | US07858646B2_6 | US07858646B2 | N#Cc1ccc(Cl)nc1.O=C(O)c1cccc(S)c1>>N#Cc1ccc(Sc2cccc(C(=O)O)c2)nc1 | null | CN(C)C=O | null | Cl | null | test |
US09029545B2_87 | US09029545B2_87 | US09029545B2 | Cc1cc(N)c2c(Br)c(C)sc2n1.O=S(=O)(Cl)c1cccc(Cl)c1>>Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)c2c(Br)c(C)sc2n1 | null | C1CCOC1 | null | CC(C)(C)[O-].[K+] | null | test |
US20140235863A1_10 | US20140235863A1_10 | US20140235863A1 | NC(=S)NN=C1CCN(Cc2ccccc2)CC1.O=C(CBr)c1cccnc1>>c1ccc(CN2CCC(=NNc3nc(-c4cccnc4)cs3)CC2)cc1 | null | C1CCOC1 | null | null | null | test |
US06087380_64 | US06087380_64 | US06087380 | CCOC(=O)CCN(C(=O)c1ccc(NC)c(N)c1)c1ccccn1.N#Cc1ccc(CCC(=O)O)s1>>CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CCc1ccc(C#N)s1)n2C)c1ccccn1 | null | CO | ClCCl | null | null | test |
US05580986_14 | US05580986_14 | US05580986 | CCOC=C(C#N)C#N.Cn1nc(NN)cc1OC(F)F>>Cn1nc(-n2ncc(C#N)c2N)cc1OC(F)F | null | CCO | null | null | null | test |
US20120101134A1_159 | US20120101134A1_159 | US20120101134A1 | CCOC(=O)CCCc1cccc(-c2nsc(-c3ccc(OC(C)C)c(C#N)c3)n2)c1CC>>CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C#N)c2)n1 | null | CC(C)O | O | Cl | null | test |
US09045486B2_56 | US09045486B2_56 | US09045486B2 | N#CCc1cccc(Cl)c1Cl.[Cl-].[NH4+]>>Cl.N=C(N)Cc1cccc(Cl)c1Cl | null | Cc1ccccc1 | null | C[Al](C)C | null | test |
US05869519_7 | US05869519_7 | US05869519 | C[C@H](N)C(=O)N[C@H](C=O)CC(=NNC(N)=O)OC(C)(C)C.O=C(O)c1cc2ccccc2n1Cc1ccccc1>>C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)C(=O)N[C@H](C=O)CC(=NNC(N)=O)OC(C)(C)C | null | CCOC(C)=O | ClCCl | CCN=C=NCCCN(C)C | null | test |
US07687637B2_45 | US07687637B2_45 | US07687637B2 | CC(=O)NC(N)=S.COc1cc(C(Br)C(C)=O)ccc1F>>COc1cc(-c2sc(NC(C)=O)nc2C)ccc1F | null | CCO | null | null | null | test |
US20080280868A1_10 | US20080280868A1_10 | US20080280868A1 | C1CCOC1.CO.Cl[Mg]C1CCCC1.N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O.NC(=O)c1cccnc1>>O=C(NCC1CCOCC1)c1cnc(Cl)cc1C1CCCC1 | null | C1CCOC1 | null | null | null | test |
US20060292079A1_2 | US20060292079A1_2 | US20060292079A1 | COCCn1ccc(C(=O)NC(COc2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)OC)c(OCc2ccccc2)c1=O>>COCCn1ccc(C(=O)NC(COc2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)O)c(OCc2ccccc2)c1=O | null | CO | null | Cl | null | test |
US09233098B2_63 | US09233098B2_63 | US09233098B2 | CCOC(=O)Cc1nn(Cc2ccc(N)cc2)c2ccccc12.Cc1ccc(C(=O)Cl)cn1>>CCOC(=O)Cc1nn(Cc2ccc(NC(=O)c3ccc(C)nc3)cc2)c2ccccc12 | null | ClCCl | null | CCN(CC)CC | null | test |
US08759342B2_6 | US08759342B2_6 | US08759342B2 | COC(=O)c1cc(Cl)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1>>COC(=O)c1cc(Cl)ccc1C1CCN(C(=O)OC(C)(C)C)CC1 | null | CC(=O)O | CCO | [H][H] | null | test |
US20110281854A1_19 | US20110281854A1_19 | US20110281854A1 | CC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O.C[C@@H]1CN[C@H](c2ccccc2)CO1>>C[C@@H]1CN(c2ccc(C=O)c(NC(=O)C(C)(C)C)n2)[C@H](c2ccccc2)CO1 | null | CN(C)C=O | null | CCN(C(C)C)C(C)C | null | test |
US07919518B2_8 | US07919518B2_8 | US07919518B2 | COc1ccc(Cn2nc(CO)c3ccccc32)cc1.O=C(O)CBr>>COc1ccc(Cn2nc(COCC(=O)O)c3ccccc32)cc1 | null | C1CCOC1 | O | [H-].[Na+] | null | test |
US20160159820A1_111 | US20160159820A1_111 | US20160159820A1 | CCN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1.N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12>>CCN1CCN(Cc2ccc(C(=O)N[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CNC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1 | null | CN(C)C=O | null | CCN(C(C)C)C(C)C | null | test |
US08252820B2_8 | US08252820B2_8 | US08252820B2 | COC(=O)CN(c1c(F)cc(Br)cc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C>>COC(=O)CN(c1c(F)cc(Br)cc1OCc1ccccc1)S(N)(=O)=O | null | ClCCl | null | O=C(O)C(F)(F)F | null | test |
US07402684B2_51 | US07402684B2_51 | US07402684B2 | Cc1ccc(S(=O)(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1.O=C(c1ccccc1)c1ccc(O)cc1>>CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(C(=O)c2ccccc2)cc1 | null | CN(C)C=O | null | [H-].[Na+] | null | test |
US20060069110A1_51 | US20060069110A1_51 | US20060069110A1 | CNc1ccnc(N(CCc2cccnc2)c2ccnc(Cl)n2)n1.OB(O)c1ccccc1F>>CN(c1ccnc(NCCc2cccnc2)n1)c1ccnc(-c2ccccc2F)n1 | null | COCCOC | null | O=C([O-])[O-].[Na+].[Na+] | null | test |
US08569535B2_183 | US08569535B2_183 | US08569535B2 | CCOC(=O)C1(NC(=O)c2c(N)ccc(C)c2C=C(C)C)Cc2ccccc2C1>>CC(C)=Cc1c(C)ccc(N)c1C(=O)NC1(C(=O)O)Cc2ccccc2C1 | null | CCO | null | O | null | test |
US04329353_1 | US04329353_1 | US04329353 | CCOC(=O)N1CCC(C#N)(Nc2ccc(F)cc2)CC1.O=S(=O)(O)O>>CCOC(=O)N1CCC(Nc2ccc(F)cc2)(C(N)=O)CC1 | null | O | null | [Na+].[OH-] | null | test |
US08975250B2_7 | US08975250B2_7 | US08975250B2 | Fc1nc(F)nc(F)n1.O=C(O)C1(Cl)N=C(NC2CCCC2)C=CN1>>O=C(F)C1(Cl)N=C(NC2CCCC2)C=CN1 | null | ClCCl | null | CCN(CC)CC | null | test |
US08722690B2_3 | US08722690B2_3 | US08722690B2 | Cc1cccnc1N.ClCc1cnc(Cl)s1>>Cc1cccnc1NCc1cnc(Cl)s1 | null | CN1CCCC1=O | null | OC(=O)[O-].[Na+] | null | test |
US08071584B2_65 | US08071584B2_65 | US08071584B2 | CCOC(=O)c1cc(Br)cc2c(CC3CCCS(=O)(=O)C3)c[nH]c12>>O=C(O)c1cc(Br)cc2c(CC3CCCS(=O)(=O)C3)c[nH]c12 | null | CO | null | [Li+].[OH-] | null | test |
US06156700_87 | US06156700_87 | US06156700 | Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(CC#N)c3c2)c1=O.O=C1CCC(=O)N1Br>>Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(Br)C#N)c3c2)c1=O | null | ClCCCl | null | null | null | test |
US20130072487A1_10 | US20130072487A1_10 | US20130072487A1 | CCOC(=O)c1c(O)n(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O.NCC(=O)O>>O=C(O)CNC(=O)c1c(O)n(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O | null | CCO | null | C1CCC2=NCCCN2CC1 | null | test |
US08173650B2_16 | US08173650B2_16 | US08173650B2 | CN(C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1>>CN(C1CCNCC1)C1CCOCC1 | null | ClCCl | null | O=C(O)C(F)(F)F | null | test |
US04315858_6 | US04315858_6 | US04315858 | COC(=O)Cl.Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1>>COC(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1 | null | ClCCl | null | CCN(CC)CC | null | test |
US06320051B1_4 | US06320051B1_4 | US06320051B1 | CC(C)(CN)CN.CCC(N)N.COc1cc(Cl)nc2ccccc12>>COc1cc(NCC(C)(C)CN)nc2ccccc12.N | null | CCOC(C)=O | null | OC(=O)[O-].[Na+] | null | test |
US08569299B2_4 | US08569299B2_4 | US08569299B2 | Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(-c2ccc(F)c(Cl)c2)n1.O=C(O)C(F)(F)F>>Cc1cc(C2CCNCC2)n(-c2ccc(F)c(Cl)c2)n1.O=C(O)C(F)(F)F | null | ClCCl | null | null | null | test |
US05811459_46 | US05811459_46 | US05811459 | COC(=O)c1ccc(CCc2cccnc2OCc2ccccc2)cc1>>O=C(O)c1ccc(CCc2cccnc2OCc2ccccc2)cc1 | null | CCO | null | [Na+].[OH-] | null | test |
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