HRID188037

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-124cf259bdd848ab833019e71a28d780
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

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