Methanol → methyl N-(8-chloro-1-methyl-6-phenyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 12802068methyl N-(8-chloro-1-methyl-5-nitroso-6-phenyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate

생성물 1

HCID 12802059methyl N-(8-chloro-1-methyl-6-phenyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate

출처 및 근거

ORD 기록: ord-66f93b1204ef493a9e260fab53c9efa5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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