HRID1148475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44119538

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

C10H16BNO4S

结构：FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(Br)n3)n2)cc1

HCID57468809

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)n2)c1

HCID57469050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a86803d17ce40d4a6175331d38473c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[n:7]1.[C:28]([CH3:29])([CH3:30])([CH3:31])[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][c:38]([B:42]([OH:43])[OH:44])[cH:39][cH:40][cH:41]1>>[c:2]1(-[c:38]2[cH:37][c:36]([S:33]([NH:32][C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:34])=[O:35])[cH:41][cH:40][cH:39]2)[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[n:7]1