HRID836569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8880

N-(2-Hydroxyethyl)acetamide

C4H9NO2

HCID62365

Isobutyl chloroformate

C5H9ClO2

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：CC(=O)NCCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1

HCID19044058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f850f7cf966460b821551c0d47aff05
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:40]([CH3:41])(=[O:42])[NH:43][CH2:44][CH2:45][OH:46].[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH3:23])=[C:4]([CH3:24])[NH:3]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:25][C:26]([O:27][CH2:28][CH:29]([CH3:30])[CH3:31])=[O:32].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH2:23][CH2:44][NH:43][C:40]([CH3:41])=[O:42])=[C:4]([CH3:24])[NH:3]1