HRID95884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

结构：CCC1c2ccccc2-c2sc(Br)cc2N1S(=O)(=O)c1ccc(OC)cc1

HCID58669396

未命名化合物

PRODUCTS

生成物

结构：CCC1c2ccccc2-c2sc(-c3ccsc3)cc2N1S(=O)(=O)c1ccc(OC)cc1

HCID68579599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc44ff03ce0d483db4f99b7d9a7bca9d
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

[Br:1][c:2]1[cH:3][c:4]2[c:13]([s:14]1)-[c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[CH:6]([CH2:15][CH3:16])[N:5]2[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1.[C:36](=[O:37])([O-:38])[O-:39].[CH2:42]([CH2:43][O:44][CH3:45])[O:46][CH3:47].[K+:40].[K+:41].[s:28]1[cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1>>[c:2]1(-[c:30]2[cH:29][s:28][cH:32][cH:31]2)[cH:3][c:4]2[c:13]([s:14]1)-[c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[CH:6]([CH2:15][CH3:16])[N:5]2[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1