1,4-Dioxane → (3-Chloro-phenyl)-{4-[2-(2-methoxy-1-methyl-ethylamino)-pyridin-4-yl]-pyrimidin-2-yl}-amine

반응식

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

참가 물질

반응물 3

HCID 312751,4-Dioxane

HCID 123458Methoxyisopropylamine

HCID 9905031N-(3-chlorophenyl)-4-(2-chloropyridin-4-yl)pyrimidin-2-amine

생성물 1

HCID 69666599(3-Chloro-phenyl)-{4-[2-(2-methoxy-1-methyl-ethylamino)-pyridin-4-yl]-pyrimidin-2-yl}-amine

출처 및 근거

ORD 기록: ord-677ef650d8984cdc901532f2aa70af9b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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