HRID295972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID938

Nicotinic acid

C6H5NO2

结构：CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl

HCID2162

Amlodipine

C20H25ClN2O5

PRODUCTS

生成物

HCID937

Nicotinate

C6H4NO2-

HCID2162

Amlodipine

C20H25ClN2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11d844693ef54462a89ee9e711f594e3
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

[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1=[C:7]([CH2:8][O:9][CH2:10][CH2:11][NH2:12])[NH:13][C:14]([CH3:15])=[C:16]([C:25](=[O:26])[O:27][CH3:28])[CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[Cl:24].[CH3:38][CH2:39][OH:40].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][n:36][cH:37]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1=[C:7]([CH2:8][O:9][CH2:10][CH2:11][NH2:12])[NH:13][C:14]([CH3:15])=[C:16]([C:25](=[O:26])[O:27][CH3:28])[CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[Cl:24].[O:29]=[C:30]([O-:31])[c:32]1[cH:33][cH:34][cH:35][n:36][cH:37]1