7-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 4-Acetylamino-2-[5-chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

반응식

[C:16]([CH3:17])(=[O:18])[NH:19][c:20]1[cH:21][c:22]([NH:30][c:31]2[n:32][c:33]([Cl:38])[n:34][cH:35][c:36]2[Cl:37])[c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[NH:6][C:7](=[O:13])[CH2:8][CH2:9][C:10]2([CH3:11])[CH3:12]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[NH:6][C:7](=[O:13])[CH2:8][CH2:9][C:10]2([CH3:11])[CH3:12])[c:33]1[n:32][c:31]([NH:30][c:22]2[cH:21][c:20]([NH:19][C:16]([CH3:17])=[O:18])[cH:29][cH:28][c:23]2[C:24](=[O:25])[NH:26][CH3:27])[c:36]([Cl:37])[cH:35][n:34]1

참가 물질

반응물 2

HCID 578538307-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HCID 86633984HCID 86633984, 화합물

생성물 1

HCID 668306934-Acetylamino-2-[5-chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

출처 및 근거

ORD 기록: ord-ebcf5cf7b288449caa4a2352392fce96
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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