HRID2322352

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)cc2)nc(-n2cnc(I)c2)n1

HCID57468784

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)cn2)cc1

HCID57468913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7acfe32e36742a4bc836134764b747a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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