HRID823380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CCSCCCN(C)c1c(S(=O)(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

HCID86600229

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)CCCN(C)c1c(S(=O)(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

HCID86600230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d73827e30d0b441f95e3869811230f60
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:46](=[O:47])([OH:48])[O-:49].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:12][c:13]1[c:14](-[n:24]2[n:25][c:26]([C:44]#[N:45])[c:27]([S:37](=[O:38])(=[O:39])[C:40]([F:41])([F:42])[F:43])[c:28]2[N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][S:34][CH2:35][CH3:36])[c:15]([Cl:23])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:7]([O:8][OH:10])=[O:9])[cH:11]1.[Cl:57][CH2:58][CH2:59][Cl:60].[Na+:50]>>[O:9]=[S:34]([CH2:33][CH2:32][CH2:31][N:29]([c:28]1[n:24](-[c:14]2[c:13]([Cl:12])[cH:18][c:17]([C:19]([F:20])([F:21])[F:22])[cH:16][c:15]2[Cl:23])[n:25][c:26]([C:44]#[N:45])[c:27]1[S:37](=[O:38])(=[O:39])[C:40]([F:41])([F:42])[F:43])[CH3:30])[CH2:35][CH3:36]