4-Bromo-N,N-dimethylbenzenesulphonamide → 4-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N,N-dimethyl-benzenesulfonamide

HRID 176108

반응식

HRID 176108 반응식
[Br:25][c:26]1[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[N:35]([CH3:36])[CH3:37])[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][cH:28][c:29]([S:32](=[O:33])(=[O:34])[N:35]([CH3:36])[CH3:37])[cH:30][cH:31]1)[F:24]

참가 물질

3

반응물 2

HCID 128184-Bromo-N,N-dimethylbenzenesulphonamideHCID 866080343-Ethynyl-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 118529374-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N,N-dimethyl-benzenesulfonamide

출처 및 근거

ORD 기록
ord-cca667a4e45546598fb6ed334a8ff6d3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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