Ethanol → Ethyl 3-amino-2-piperid-1-yl-5-trifluoromethylbenzoate

반응식

[CH2:25]1[CH2:26][CH:27]=[CH:28][CH2:29][CH2:30]1.[CH3:31][CH2:32][OH:33].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([N:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1>>[NH2:1][c:4]1[c:5]([N:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 8079Cyclohexene

HCID 67201256Ethyl 3-nitro-2-piperid-1-yl-5-trifluoromethylbenzoate

생성물 1

HCID 67202696Ethyl 3-amino-2-piperid-1-yl-5-trifluoromethylbenzoate

출처 및 근거

ORD 기록: ord-303cdbe1be3c435da98eff2a09391a2a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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