Methanol → rac-7-amino-5-(o-chlorophenyl)-1,3-dihydro-1,3-dimethyl-2H-1,4-benzodiazepin-2-one

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 20443626(+)-5-(o-chlorophenyl)--1,3-dihydro-1,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

생성물 1

HCID 10335749rac-7-amino-5-(o-chlorophenyl)-1,3-dihydro-1,3-dimethyl-2H-1,4-benzodiazepin-2-one

출처 및 근거

ORD 기록: ord-d45d1ab1c23949658e67f0f329c18c4b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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