HRID809724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8113

Diethanolamine

C4H11NO2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)N1CCC1COc1cncc(CCc2cccc(CN)c2)c1

HCID72272921

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC1COc1cncc(CCc2cccc(CNS(C)(=O)=O)c2)c1

HCID72273175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f13fcf53ef114f718f862f9e35598e3c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:12][O:13][c:14]2[cH:15][c:16]([CH2:20][CH2:21][c:22]3[cH:23][c:24]([CH2:28][NH2:29])[cH:25][cH:26][cH:27]3)[cH:17][n:18][cH:19]2)[CH2:10][CH2:11]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][S:38]([Cl:39])(=[O:40])=[O:41].[Cl:49][CH2:50][Cl:51].[OH:42][CH2:43][CH2:44][NH:45][CH2:46][CH2:47][OH:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:12][O:13][c:14]2[cH:15][c:16]([CH2:20][CH2:21][c:22]3[cH:23][c:24]([CH2:28][NH:29][S:38]([CH3:37])(=[O:40])=[O:41])[cH:25][cH:26][cH:27]3)[cH:17][n:18][cH:19]2)[CH2:10][CH2:11]1