9-chloro-8-fluoro-4-methyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one → 3-[(9-chloro-4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(5-methylpyrazin-2-yl)-5-(oxolan-3-yloxy)benzamide

반응식

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

참가 물질

반응물 2

HCID 576632269-chloro-8-fluoro-4-methyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one

HCID 178430648HCID 178430648, 화합물

생성물 1

HCID 732041493-[(9-chloro-4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(5-methylpyrazin-2-yl)-5-(oxolan-3-yloxy)benzamide

출처 및 근거

ORD 기록: ord-e0025b81b9b44374ba8750f21e4e9bcd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

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