HRID181562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID77014

1-Bromo-4-(methylsulphonyl)benzene

C7H7BrO2S

HCID10462298

4,7-Dimethoxy-1,10-phenanthroline

C14H12N2O2

HCID54706325

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-n2cc(C#N)c(O)cc2=O)cc1

HCID67368768

4-Hydroxy-1-(4-(methylsulfonyl)phenyl)-6-oxo-1,6-dihydropyridine-3-carbonitrile

C13H10N2O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2297ffbfc208487e8f4d1543c28ad817
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

[Br:11][c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:22][O:23][c:24]1[c:25]2[c:26]([c:27]3[c:28]([cH:29][cH:30]2)[c:31]([O:32][CH3:33])[cH:34][cH:35][n:36]3)[n:37][cH:38][cH:39]1.[CH3:47][S:48]([CH3:49])=[O:50].[ClH:46].[Cu:51][I:52].[K+:44].[K+:45].[OH2:53].[OH:1][c:2]1[c:3]([C:9]#[N:10])[cH:4][nH:5][c:6](=[O:8])[cH:7]1>>[OH:1][c:2]1[c:3]([C:9]#[N:10])[cH:4][n:5](-[c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[c:6](=[O:8])[cH:7]1