HRID946491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID7892

2-Methylpentane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2733206

tert-Butyl N-(2-hydroxyethyl)carbamate

C7H15NO3

HCID3782034

Trimethylammonium ion

C3H10N+

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCCNC(=O)OC(C)(C)C)cc1

HCID10781634

2-[(tert-Butoxycarbonyl)amino]ethyl 4-methylbenzene-1-sulfonate

C14H21NO5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-608bb256b8fe4e068b59e4bf18973fed
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

[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:31][NH+:32]([CH3:33])[CH3:34].[CH3:35][CH2:36][CH2:37][CH:38]([CH3:39])[CH3:40].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl-:30].[Cl:41][CH2:42][Cl:43].[OH:12][CH2:13][CH2:14][NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22].[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:12][CH2:13][CH2:14][NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6]1