HRID168110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID7849

1-Chloro-2-bromoethane

C2H4BrCl

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

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

PRODUCTS

生成物

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

HCID3016888

2-Chloroethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C18H19ClN2O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fced80adbdfc471a945cb2b281537b13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:6]([CH3:24])[NH:7][C:8]([CH3:23])=[C:9]([C:20](=[O:21])[OH:22])[CH:10]1[c:11]1[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:37][OH:38].[Cl:25][CH2:26][CH2:27][Br:28].[NH3:36]>>[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:6]([CH3:24])[NH:7][C:8]([CH3:23])=[C:9]([C:20](=[O:21])[O:22][CH2:27][CH2:26][Cl:25])[CH:10]1[c:11]1[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]1