Ethanol → 1-cyclohexylcarbonylmethyl-2-oxo-3-amino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 212016381-cyclohexylcarbonylmethyl-2-oxo-3-tert-butoxycarbonylamino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

생성물 1

HCID 212018931-cyclohexylcarbonylmethyl-2-oxo-3-amino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

출처 및 근거

ORD 기록: ord-c6fa1c5a32fa49eda945c63f93220770
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…