HRID306922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID21219

N-methyl-N,N-dioctyloctan-1-aminium

C25H54N+

HCID25887

3,4,5-Trimethoxyphenylacetonitrile

C11H13NO3

HCID1798998

3-Nitro-p-tolualdehyde

C8H7NO3

PRODUCTS

生成物

结构：COc1cc(C(C#N)=Cc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC

HCID54389426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c53b181d31394ac29ecf125f8aece88f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:31]([N+:32]([CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[CH3:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[CH3:13][O:14][c:15]1[cH:16][c:17]([CH2:25][C:26]#[N:27])[cH:18][c:19]([O:23][CH3:24])[c:20]1[O:21][CH3:22].[Cl-:30].[Cl:58][CH2:59][Cl:60].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][c:11]1[CH3:12].[Na+:29].[OH-:28].[OH2:57]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[C:25]([c:17]2[cH:16][c:15]([O:14][CH3:13])[c:20]([O:21][CH3:22])[c:19]([O:23][CH3:24])[cH:18]2)[C:26]#[N:27])[cH:9][cH:10][c:11]1[CH3:12]