Ethanol → Ethyl 4-amino-2,6-bis(trifluoromethyl)-3-pyridinecarboxylate
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[CH3:25][CH2:26][OH:27].[H:23][H:24].[N:1](=[N+:2]=[N-:3])[c:4]1[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[c:6]([C:14]([F:15])([F:16])[F:17])[n:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1>>[NH2:1][c:4]1[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[c:6]([C:14]([F:15])([F:16])[F:17])[n:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-1351e66d44a0425e915aa22444ba6bd7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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