2-Amino-3-methoxy-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one → 2-[5-Chloro-4-(2-methoxy-phenylamino)-pyrimidin-2-ylamino]-3-methoxy-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one

반응식

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

참가 물질

반응물 2

HCID 672646482-Amino-3-methoxy-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one

HCID 79633486(2,5-Dichloro-pyrimidin-4-yl)-(2-methoxy-phenyl)-amine

생성물 1

HCID 668298102-[5-Chloro-4-(2-methoxy-phenylamino)-pyrimidin-2-ylamino]-3-methoxy-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one

출처 및 근거

ORD 기록: ord-a5a34357afa4456eb22b4ed05e738f2d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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