HRID670111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

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

HCID173322

5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

C16H16N2O6

HCID13923903

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(OCC3COC(C)(C)O3)cc2)C1c1cccc([N+](=O)[O-])c1

HCID13632564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b5ea97513774e80a7e0edd6a09cd092
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[OH:23])=[C:4]([CH3:24])[NH:3]1.[CH3:25][C:26]1([CH3:42])[O:27][CH2:28][CH:29]([CH2:31][O:32][c:33]2[cH:34][cH:35][c:36]([CH2:39][CH2:40][OH:41])[cH:37][cH:38]2)[O:30]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:50][CH2:51][Cl:52]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[O:41][CH2:40][CH2:39][c:36]2[cH:35][cH:34][c:33]([O:32][CH2:31][CH:29]3[CH2:28][O:27][C:26]([CH3:25])([CH3:42])[O:30]3)[cH:38][cH:37]2)=[C:4]([CH3:24])[NH:3]1