HRID155349

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

HCID54420190

3-{4-[(Pyridin-3-yl)methyl]phenyl}prop-2-en-1-ol

C15H15NO

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cc3cccnc3)cc2)C1c1cccc([N+](=O)[O-])c1

HCID67842846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0602f389423d43cdbb5b127c57daf192
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.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[n:25]1[cH:26][c:27]([CH2:31][c:32]2[cH:33][cH:34][c:35]([CH:38]=[CH:39][CH2:40][OH:41])[cH:36][cH:37]2)[cH:28][cH:29][cH:30]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:41][CH2:40][CH:39]=[CH:38][c:35]2[cH:34][cH:33][c:32]([CH2:31][c:27]3[cH:26][n:25][cH:30][cH:29][cH:28]3)[cH:37][cH:36]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