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

HRID 97930

반응식

HRID 97930 반응식
[Br:25][c:26]1[cH:27][cH:28][c:29]([O:41][CH3:42])[c:30]([S:32](=[O:33])(=[O:34])[NH:35][C:36]([CH2:37][OH:38])([CH3:39])[CH3:40])[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][cH:28][c:29]([O:41][CH3:42])[c:30]([S:32](=[O:33])(=[O:34])[NH:35][C:36]([CH2:37][OH:38])([CH3:39])[CH3:40])[cH:31]1)[F:24]

참가 물질

3

반응물 2

HCID 275180375-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzenesulfonamideHCID 866080343-Ethynyl-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 118518155-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide

출처 및 근거

ORD 기록
ord-840615762c4c4fbc90d64aba8186a909
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…