HRID941189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

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(C)=O)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-]

HCID13388345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b5bdb5e31c74f6ab9d649b4db61d73d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:44]([Cl:45])[Cl:46].[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.[CH3:29][C:30]([Cl:31])=[O:32].[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]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:30]([CH3:29])=[O:32])[NH:3]1