7-Amino-1,5,5-trimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 2-[5-Chloro-2-(1,5,5-trimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-ethyl-3-fluoro-benzamide

반응식

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

참가 물질

반응물 2

HCID 197602147-Amino-1,5,5-trimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HCID 866339272-(2,5-Dichloro-pyrimidin-4-ylamino)-N-ethyl-3-fluoro-benzamide

생성물 1

HCID 672646602-[5-Chloro-2-(1,5,5-trimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-ethyl-3-fluoro-benzamide

출처 및 근거

ORD 기록: ord-e81a48da0a694476b3f7841a96be95c5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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