3-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamide → 3-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzenesulfonamide

반응식

[Br:25][c:26]1[cH:27][c:28]([S:32](=[O:33])(=[O:34])[NH:35][C:36]([CH2:37][OH:38])([CH3:39])[CH3:40])[cH:29][cH:30][cH:31]1.[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[CH:13])[F:24]>>[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[C:13][c:26]1[cH:27][c:28]([S:32](=[O:33])(=[O:34])[NH:35][C:36]([CH2:37][OH:38])([CH3:39])[CH3:40])[cH:29][cH:30][cH:31]1)[F:24]

참가 물질

반응물 2

HCID 435019003-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamide

HCID 866080343-Ethynyl-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 118530333-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzenesulfonamide

출처 및 근거

ORD 기록: ord-7bf4572c534645bbb385b5b4b52e5f98
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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