HRID1570007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(C)(C)CCS3(=O)=O)c1O

HCID178418286

未命名化合物

PRODUCTS

生成物

结构：CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(C)(C)CCS3(=O)=O)c1OS(C)(=O)=O

HCID15477357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3acca9c24e9c471bab9925005c26d73b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH2:38]([Cl:39])[Cl:40].[CH2:43]([N+:44]([CH2:45][CH3:46])([CH2:47][CH3:48])[CH2:49][CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[cH:16][n:17][n:18]([CH2:21][CH3:22])[c:19]3[OH:20])[c:10]([CH3:12])[c:11]21.[CH3:33][S:34]([Cl:35])(=[O:36])=[O:37].[Cl-:42].[K+:31].[K+:32].[OH2:41]>>[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[cH:16][n:17][n:18]([CH2:21][CH3:22])[c:19]3[O:20][S:34]([CH3:33])(=[O:36])=[O:37])[c:10]([CH3:12])[c:11]21