8-Amino-1-isobutyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 8-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-isobutyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

반응식

[Cl:20][c:21]1[n:22][cH:23][c:24]([Cl:42])[c:25]([NH:27][c:28]2[c:29]([O:40][CH3:41])[cH:30][c:31]([N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[cH:32][cH:33]2)[n:26]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[N:7]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[N:7]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:21]1[n:22][cH:23][c:24]([Cl:42])[c:25]([NH:27][c:28]2[c:29]([O:40][CH3:41])[cH:30][c:31]([N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[cH:32][cH:33]2)[n:26]1

참가 물질

반응물 2

HCID 672648388-Amino-1-isobutyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HCID 86633851(2,5-Dichloropyrimidin-4-yl)-(2-methoxy-4-morpholin-4-yl-phenyl)-amine

생성물 1

HCID 668306448-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-isobutyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

출처 및 근거

ORD 기록: ord-49f2841e424b4e12ad07597221bc57cd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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