HRID2162334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)O

HCID15147487

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCCN(C)C

HCID10319094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97703499e6d64f4cacaf9f6501d29ea0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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