HRID290245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID7237

o-Xylene

C8H10

HCID79698

3,3-Diphenylpropylamine

C15H17N

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

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNCCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1

HCID10769981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b0d67d8338a4acdaae75f3976d918d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[O:23][CH2:24][CH2:25][Cl:26])=[C:4]([CH3:27])[NH:3]1.[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[c:28]1([CH:34]([CH2:35][CH2:36][NH2:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1.[c:49]1([CH3:50])[c:51]([CH3:52])[cH:53][cH:54][cH:55][cH:56]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[O:23][CH2:24][CH2:25][NH:37][CH2:36][CH2:35][CH:34]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[C:4]([CH3:27])[NH:3]1