Ammonia → 7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

반응식

[Br:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[c:7]([C:13]([c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)=[O:21])[cH:8][c:9]([Br:12])[cH:10][cH:11]1.[CH3:22][OH:23].[NH3:24]>>[CH2:2]1[C:3](=[O:4])[NH:5][c:6]2[c:7]([cH:8][c:9]([Br:12])[cH:10][cH:11]2)[C:13]([c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)=[N:24]1

참가 물질

반응물 3

HCID 222Ammonia

HCID 887Methanol

HCID 534406762-Bromo-N-[4-bromo-2-(2-fluorobenzoyl)phenyl]acetamide

생성물 1

HCID 129470247-Bromo-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

출처 및 근거

ORD 기록: ord-27af7d74ef524636900df5ca6f7bc4b2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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