Water → 4-({4-[4-(Trifluoromethyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonyl chloride

반응식

[Cl:25][S:26](=[O:27])(=[O:28])[OH:29].[OH2:24].[c:1]1([NH:7][c:8]2[n:9][cH:10][cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[n:9][cH:10][cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:13]2)[cH:2][cH:3][c:4]([S:26]([Cl:25])(=[O:27])=[O:28])[cH:5][cH:6]1

참가 물질

반응물 3

HCID 962Water

HCID 24638Chlorosulfonic acid

HCID 57446828N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

생성물 1

HCID 866042824-({4-[4-(Trifluoromethyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonyl chloride

출처 및 근거

ORD 기록: ord-bdc466b87dc74dcd9fa38ab4d099b889
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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