HRID2321470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID53167

1-Methylpiperazine

C5H12N2

结构：Cc1cc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)O

HCID10359515

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)N1CCN(C)CC1

HCID9979300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b414631230745fcbadc0868df675ab5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:39]([Cl:40])[Cl:41].[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)[cH:7]1.[CH3:30][N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Na+:38].[OH-:37].[OH2:42].[S:26]([Cl:27])([Cl:28])=[O:29]>>[CH3:1][c:2]1[c:3]([C:23](=[O:25])[N:34]2[CH2:33][CH2:32][N:31]([CH3:30])[CH2:36][CH2:35]2)[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)[cH:7]1