Phosphorus oxychloride → 1-chloro-6-methyl-N-(3-(6-(methylamino)pyrimidin-4-yl)pyridin-2-yl)isoquinolin-5-amine

반응식

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

참가 물질

반응물 2

HCID 24813Phosphorus oxychloride

HCID 589422616-methyl-5-(3-(6-(methylamino)pyrimidin-4-yl)pyridin-2-ylamino)isoquinolin-1(2H)-one

생성물 1

HCID 589422651-chloro-6-methyl-N-(3-(6-(methylamino)pyrimidin-4-yl)pyridin-2-yl)isoquinolin-5-amine

출처 및 근거

ORD 기록: ord-93226733d6324074be4561c7a848eec9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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