HRID2313250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1146

Trimethylamine

C3H9N

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

结构：CCOC(=O)C1(CO)CCN(C(=O)c2ccc(OC)cc2)C1

HCID59322203

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(COS(=O)(=O)c2ccc(C)cc2)CCN(C(=O)c2ccc(OC)cc2)C1

HCID59322206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6a8262c94ed495396b218b77705160a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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