HRID1126666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID1501912

4'-Bromomethyl-2-cyanobiphenyl

C14H10BrN

HCID19792196

未命名化合物

PRODUCTS

生成物

结构：CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)c1c(OC)cccc1[N+](=O)[O-]

HCID19792111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3916aea2f48448d7b6e6a804776cebd7
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

[C:21](#[N:22])[c:23]1[c:24](-[c:29]2[cH:30][cH:31][c:32]([CH2:33][Br:34])[cH:35][cH:36]2)[cH:25][cH:26][cH:27][cH:28]1.[CH3:1][O:2][c:3]1[c:4]([NH:12][C:13]([CH2:14][CH2:15][CH2:16][CH3:17])=[O:18])[c:5]([N+:9](=[O:10])[O-:11])[cH:6][cH:7][cH:8]1.[H-:19].[Na+:20].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37]>>[CH3:1][O:2][c:3]1[c:4]([N:12]([C:13]([CH2:14][CH2:15][CH2:16][CH3:17])=[O:18])[CH2:33][c:32]2[cH:31][cH:30][c:29](-[c:24]3[c:23]([C:21]#[N:22])[cH:28][cH:27][cH:26][cH:25]3)[cH:36][cH:35]2)[c:5]([N+:9](=[O:10])[O-:11])[cH:6][cH:7][cH:8]1