HRID682967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22107170

[4-(tert-Butylsulfamoyl)phenyl]boronic acid

C10H16BNO4S

结构：FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-n2cnc(I)c2)n1

HCID57468788

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(-c3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3)cn2)cc1

HCID57468979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7149e4b4ea364e07ad06f72dbc65f402
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[NH:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11](-[n:19]3[cH:20][n:21][c:22]([I:24])[cH:23]3)[n:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:5][cH:6][c:7]1[Cl:8]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11](-[n:19]3[cH:20][n:21][c:22](-[c:36]4[cH:35][cH:34][c:33]([S:30]([NH:29][C:25]([CH3:26])([CH3:27])[CH3:28])(=[O:31])=[O:32])[cH:38][cH:37]4)[cH:23]3)[n:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:5][cH:6][c:7]1[Cl:8]