HRID90130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID77569

alpha-Bromo-2-nitrotoluene

C7H6BrNO2

HCID2761178

ethyl 4-(piperazin-1-yl)benzoate

C13H18N2O2

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1

HCID57474940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83bf6be30be74f42ae2aaa7896eefa58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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