HRID2139508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID139882

4-t-Butylbenzenesulfonyl chloride

C10H13ClO2S

结构：COC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(Br)ccc1N

HCID178499712

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID21921243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bfb65eae47c40a3a35f824a9a8caa18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:36]([CH3:37])([CH3:38])([CH3:39])[c:40]1[cH:41][cH:42][c:43]([S:46](=[O:47])(=[O:48])[Cl:49])[cH:44][cH:45]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:10][cH:11]1)[NH:18][C:19]([c:20]1[c:21]([NH2:27])[cH:22][cH:23][c:24]([Br:26])[cH:25]1)=[O:28])=[O:29].[Cl:50][CH2:51][Cl:52].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:10][cH:11]1)[NH:18][C:19]([c:20]1[c:21]([NH:27][S:46]([c:43]2[cH:42][cH:41][c:40]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:45][cH:44]2)(=[O:47])=[O:48])[cH:22][cH:23][c:24]([Br:26])[cH:25]1)=[O:28])=[O:29]