Ethanol → 1-[2-(2-Amino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyryl]-octahydro-indole-2-carboxylic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:17]([CH:18]([C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24]([CH:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[NH:32][C:33]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])=[O:43])=[O:44])[CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14][CH:15]2[CH2:16]1.[CH3:45][CH2:46][OH:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:17]([CH:18]([C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24]([CH:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[NH2:32])=[O:43])=[O:44])[CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14][CH:15]2[CH2:16]1

참가 물질

반응물 2

HCID 702Ethanol

HCID 684942111-[2-(2-Benzyloxycarbonylamino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyryl]-octahydroindole-2-carboxylic acid tert-butyl ester

생성물 1

HCID 684969241-[2-(2-Amino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyryl]-octahydro-indole-2-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-674623bf2fb14e1bb25854ff05ca7377
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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