HRID88853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID15513

Methyl hydrogen terephthalate

C9H8O4

HCID13041399

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)cc1

HCID12017672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fd2614eca3a429ab2f08762f080f11a
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

[CH2:40]([Cl:41])[Cl:42].[CH3:26][O:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38]1.[Cl-:25].[OH2:39].[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][c:11]2[c:12]([NH2:13])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:19]1[cH:20][cH:21][n:22][cH:23][cH:24]1>>[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][c:11]2[c:12]([NH:13][C:34]([c:33]3[cH:32][cH:31][c:30]([C:28]([O:27][CH3:26])=[O:29])[cH:38][cH:37]3)=[O:35])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1