Acetic Acid → 5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 21428190N-benzyl-N-[1-[2-(2-chlorobenzoyl)-4-nitroanilino]-1-oxopropan-2-yl]carbamate

생성물 1

HCID 933645-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one

출처 및 근거

ORD 기록: ord-39ab05e4b4c5422ea7ec7f204b438e3a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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