HRID110012

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)c1ccc(-c2cc(C(F)(F)F)nc(-n3cnc(I)c3)n2)cc1

HCID57468782

未命名化合物

PRODUCTS

生成物

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

HCID57468886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d851c7c76eb4b4cab11b2316aa154fa
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:27]([CH3:28])([CH3:29])([CH3:30])[NH:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[I:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:6]1>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([S:32]([NH:31][C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:33])=[O:34])[cH:40][cH:39]2)[n:3][cH:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:6]1