7-Amino-5-methyl-5H-dibenzo[b,d]azepin-6(7H)-one → N-(3,5-Difluoro-benzyl)-2-fluoro-2-methyl-N'-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-malonamide

반응식

[F:19][c:20]1[cH:21][c:22]([CH2:23][NH:24][C:25]([C:26]([C:27](=[O:28])[OH:29])([CH3:30])[F:31])=[O:32])[cH:33][c:34]([F:36])[cH:35]1.[NH2:1][CH:2]1[c:3]2[c:4]([cH:15][cH:16][cH:17][cH:18]2)-[c:5]2[c:6]([cH:11][cH:12][cH:13][cH:14]2)[N:7]([CH3:10])[C:8]1=[O:9]>>[NH:1]([CH:2]1[c:3]2[c:4]([cH:15][cH:16][cH:17][cH:18]2)-[c:5]2[c:6]([cH:11][cH:12][cH:13][cH:14]2)[N:7]([CH3:10])[C:8]1=[O:9])[C:27]([C:26]([C:25]([NH:24][CH2:23][c:22]1[cH:21][c:20]([F:19])[cH:35][c:34]([F:36])[cH:33]1)=[O:32])([CH3:30])[F:31])=[O:28]

참가 물질

반응물 2

HCID 101986267-Amino-5-methyl-5H-dibenzo[b,d]azepin-6(7H)-one

HCID 69280651N-(3,5-Difluoro-benzyl)-2-fluoro-2-methyl-malonamic acid

생성물 1

HCID 9934901N-(3,5-Difluoro-benzyl)-2-fluoro-2-methyl-N'-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-malonamide

출처 및 근거

ORD 기록: ord-e378a1fef3ad470cba105b8ce8b45529
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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