HRID214716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID11921

2-Nitrobenzyl chloride

C7H6ClNO2

HCID81961

Triethyl ethane-1,1,2-tricarboxylate

C11H18O6

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCOC(=O)CC(Cc1ccccc1[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

HCID21519361

Triethyl 3-(2-nitrophenyl)propane-1,2,2-tricarboxylate

C18H23NO8

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8bb0a9a09d44066901c7242bcd605be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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