HRID826140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=C1OC(CO)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

HCID57558151

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)OCC1CN(c2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c(=O)c3c2)C(=O)O1

HCID57557875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8178c779aed1401f90017605b4296b2a
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

[CH2:44]([Cl:45])[Cl:46].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:47][OH:48].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:8][S:9]([Cl:10])(=[O:11])=[O:12].[Cl-:42].[NH4+:43].[OH:13][CH2:14][CH:15]1[CH2:16][N:17]([c:21]2[cH:22][cH:23][c:24]3[cH:25][c:26](-[c:32]4[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]4)[nH:27][c:28](=[O:31])[c:29]3[cH:30]2)[C:18](=[O:20])[O:19]1>>[CH3:8][S:9](=[O:11])(=[O:12])[O:13][CH2:14][CH:15]1[CH2:16][N:17]([c:21]2[cH:22][cH:23][c:24]3[cH:25][c:26](-[c:32]4[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]4)[nH:27][c:28](=[O:31])[c:29]3[cH:30]2)[C:18](=[O:20])[O:19]1