HRID697789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID176

Acetic Acid

C2H4O2

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID22784

Benzenesulfonamide, 4-nitro-

C6H6N2O4S

HCID96109

Benzene, 1-(methylthio)-4-nitro-

C7H7NO2S

HCID185497

Rhodium, ion(Rh2 )

Rh+2

HCID178526216

未命名化合物

PRODUCTS

生成物

结构：CS(=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

HCID59683175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2774553890fc45c3b7c7036ff9ff5c98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([OH:2])(=[O:3])[CH3:4].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[C:5]([OH:6])(=[O:7])[CH3:8].[CH3:17][S:18][c:19]1[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]1.[Cl:41][CH2:42][Cl:43].[IH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)=[O:16].[N+:28](=[O:29])([O-:30])[c:31]1[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:35][cH:36]1.[Rh+2:48]>>[CH3:17][S:18]([c:19]1[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]1)=[N:40][S:37]([c:34]1[cH:33][cH:32][c:31]([N+:28](=[O:29])[O-:30])[cH:36][cH:35]1)(=[O:38])=[O:39]