HRID2331137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2cccc(S(N)(=O)=O)c2)OC1(C)C

HCID16414230

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

C12H18BNO4S

结构：FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(-c3cccc(Br)c3)n2)cc1

HCID57468744

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1cccc(-c2cccc(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)c2)c1

HCID57468869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31fe8ae75a704b95b98f6ad1fde9feca
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

[Br:1][c:2]1[cH:3][c:4](-[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])[cH:13]2)[cH:5][cH:6][cH:7]1.[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][c:38]([S:42](=[O:43])(=[O:44])[NH2:45])[cH:39][cH:40][cH:41]2)[O:46]1>>[c:2]1(-[c:36]2[cH:37][c:38]([S:42](=[O:43])(=[O:44])[NH2:45])[cH:39][cH:40][cH:41]2)[cH:3][c:4](-[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])[cH:13]2)[cH:5][cH:6][cH:7]1