HRID1118978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID235987

1-(2-Bromoethoxy)-4-nitrobenzene

C8H8BrNO3

HCID21918653

4-(4-Nitrophenoxy)piperidine

C11H14N2O3

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(OCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1

HCID19788723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de45c9b390a44c06acae8c6d9dadd1c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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