HRID948358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID66646

4-Chloroanthranilic acid

C7H6ClNO2

HCID14156399

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(N2CCC3(CC2)Nc2cc(Cl)ccc2C(=O)O3)cc1

HCID15055908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95aeb3d3da3f407ab28f7dd861aad337
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]2)[cH:9][cH:10]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:18][c:19]1[cH:20][c:21]([NH2:28])[c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]1.[OH2:47].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][C:14]3([CH2:15][CH2:16]2)[O:17][C:23](=[O:24])[c:22]2[c:21]([cH:20][c:19]([Cl:18])[cH:27][cH:26]2)[NH:28]3)[cH:9][cH:10]1