HRID142175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID65314645

未命名化合物

HCID86608081

未命名化合物

PRODUCTS

产物

HCID67000856

5-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide

C23H17F5N4O4S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3ce0b8983b5c43aa84fd1e68a7a9f69d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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