HRID1559572

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(Cl)c1Cl

HCID2794058

4-(2,3-Dichlorophenyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

C16H15Cl2NO4

HCID70047020

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cc3ncc[nH]3)cc2)C1c1cccc(Cl)c1Cl

HCID67842770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d6c96ec540b4a9ebb637ce9123dfd52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[c:12]([Cl:18])[c:13]([Cl:17])[cH:14][cH:15][cH:16]2)[C:5]([C:19](=[O:20])[O:21][CH3:22])=[C:4]([CH3:23])[NH:3]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[nH:24]1[c:25]([CH2:29][c:30]2[cH:31][cH:32][c:33]([CH:36]=[CH:37][CH2:38][OH:39])[cH:34][cH:35]2)[n:26][cH:27][cH:28]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:39][CH2:38][CH:37]=[CH:36][c:33]2[cH:32][cH:31][c:30]([CH2:29][c:25]3[nH:24][cH:28][cH:27][n:26]3)[cH:35][cH:34]2)[CH:6]([c:11]2[c:12]([Cl:18])[c:13]([Cl:17])[cH:14][cH:15][cH:16]2)[C:5]([C:19](=[O:20])[O:21][CH3:22])=[C:4]([CH3:23])[NH:3]1