HRID1132994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24819

Phosphorus pentachloride

Cl5P

结构：COC(=O)C1=C(C#N)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1

HCID15388766

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1

HCID4494

Nilvadipine

C19H19N3O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dbbbc419bf54972ad168a09f425d67a
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:1](=[O:2])([OH:3])[C:4]1=[C:9]([CH3:10])[NH:8][C:7]([C:11]#[N:12])=[C:6]([C:13](=[O:14])[O:15][CH3:16])[CH:5]1[c:17]1[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]1.[CH2:42]([Cl:43])[Cl:44].[CH:32]([CH3:33])([CH3:34])[OH:35].[Cl:26][P:27]([Cl:28])([Cl:29])([Cl:30])[Cl:31].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41]>>[C:1](=[O:2])([O:3][CH:32]([CH3:33])[CH3:34])[C:4]1=[C:9]([CH3:10])[NH:8][C:7]([C:11]#[N:12])=[C:6]([C:13](=[O:14])[O:15][CH3:16])[CH:5]1[c:17]1[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]1