HRID152435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74192

(1,1'-Biphenyl)-4-sulphonyl chloride

C12H9ClO2S

HCID2774464

3-Amino-4-bromo-5-methylisoxazole

C4H5BrN2O

结构：Cc1onc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1Br

HCID15453175

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(N(S(=O)(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1Br

HCID23372931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2165c8050214a5d9d68453a97b8ebad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[n:4][o:5][c:6]1[CH3:7].[NH2:24][c:25]1[c:26]([Br:27])[c:28]([CH3:29])[o:30][n:31]1.[c:32]1(-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:36][cH:37]1>>[Br:1][c:2]1[c:3]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[S:38]([c:35]2[cH:34][cH:33][c:32](-[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:37][cH:36]2)(=[O:39])=[O:40])[n:4][o:5][c:6]1[CH3:7]