HRID152386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

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

HCID54108898

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cn3cncn3)cc2)C1c1cccc([N+](=O)[O-])c1

HCID67842709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60f07b89db3446d0ba176464a8117333
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

[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.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:41]1([N:42]=[C:43]=[N:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[n:25]1([CH2:30][c:31]2[cH:32][cH:33][c:34]([CH:37]=[CH:38][CH2:39][OH:40])[cH:35][cH:36]2)[n:26][cH:27][n:28][cH:29]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:40][CH2:39][CH:38]=[CH:37][c:34]2[cH:33][cH:32][c:31]([CH2:30][n:25]3[n:26][cH:27][n:28][cH:29]3)[cH:36][cH:35]2)[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