HRID1137913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID77771

p-Chlorophenoxyacetyl chloride

C8H6Cl2O2

结构：CCOC(=O)C1=C(C)NC(CO)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-]

HCID13388340

2-Hydroxymethyl-6-methyl-4-(nitrophenyl)-3,5-diethoxycarbonyl-1,4-dihydropyridine

C19H22N2O7

PRODUCTS

生成物

结构：CCOC(=O)C1=C(C)NC(COC(=O)COc2ccc(Cl)cc2)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-]

HCID13388348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3cfa3821ca040ba8ce4ee265b195d26
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

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