HRID97930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID27518037

未命名化合物

HCID86608034

未命名化合物

PRODUCTS

产物

HCID11851815

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

C27H23F5N4O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-840615762c4c4fbc90d64aba8186a909
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[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]