HRID201934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=C1C(CO)CCN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

HCID11854959

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)OCC1CCN(c2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c(=O)c3c2)C1=O

HCID86626744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-043a861fe2634d548d2a1956bca2ca31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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