HRID690167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID541

4-Nitrobenzaldehyde

C7H5NO3

HCID6344

Dichloromethane

CH2Cl2

HCID13097

Triphenylphosphine oxide

C18H15OP

结构：CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID70670

Acetic acid, (triphenylphosphoranylidene)-, ethyl ester

C22H21O2P

PRODUCTS

生成物

HCID95370

2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester

C11H11NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c95690b6b4614b2ab2c9d8bd9980c7a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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