2-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamide → 3-[5-Chloro-4-(2-methylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester

반응식

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

참가 물질

반응물 2

HCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamide

HCID 672645533-amino-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester

생성물 1

HCID 668296703-[5-Chloro-4-(2-methylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-ec401623ada7489caf17079468eb85c2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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