HRID123794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

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

HCID86747592

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCCON=Cc2ccc(Cc3ncc[nH]3)cc2)C1c1cccc([N+](=O)[O-])c1

HCID86747591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ea68af93d2145eea33ae23fc1def631
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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