HRID102960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID57442194

未命名化合物

HCID57442196

未命名化合物

PRODUCTS

产物

HCID57442242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ebfb0bc182f5413883467c64948ab35b
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

[C:23](#[N:24])[c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[CH:34]([n:35]1[c:36]2[c:37]([cH:38][cH:39][c:40]([N+:41]([O-:42])=[O:43])[cH:44]2)[c:45](-[c:46]2[cH:47][cH:48][c:49]([C:50]#[N:51])[cH:52][cH:53]2)[cH:54]1)([CH3:55])[CH3:56].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([Br:22])[c:13]3[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12](-[c:28]3[cH:27][cH:26][c:25]([C:23]#[N:24])[cH:30][cH:29]3)[c:13]3[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1