Ethanol → 10,11-Dihydro-10-(4-amino-3-methylbenzoyl)-5H-Pyrrolo[2,1-c][1,4]benzodiazepine

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 9321Hydrazine

HCID 1052158310,11-dihydro-10-(3-methyl-4-nitro-benzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine

생성물 1

HCID 1068697510,11-Dihydro-10-(4-amino-3-methylbenzoyl)-5H-Pyrrolo[2,1-c][1,4]benzodiazepine

출처 및 근거

ORD 기록: ord-4f01def3abd24819928ad2ee9af4522b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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