4-(Chloromethyl)benzoyl chloride → 4-chloromethyl-N-[4-methyl-3-(2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-ylamino)-phenyl]benzamide

반응식

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

참가 물질

반응물 2

HCID 701364-(Chloromethyl)benzoyl chloride

HCID 227324584-(5-Amino-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine

생성물 1

HCID 227323644-chloromethyl-N-[4-methyl-3-(2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-ylamino)-phenyl]benzamide

출처 및 근거

ORD 기록: ord-379b95f5efab4fa0a17d84274ccab4dc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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