HRID163313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID75452

4-Methoxybenzylamine

C8H11NO

结构：C=CCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C=O)CC)C1=O

HCID76834750

未命名化合物

PRODUCTS

生成物

结构：C=CCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CNCc2ccc(OC)cc2)C1=O

HCID68000804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e3ab1342aab4232a79d1a536e54ed95
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

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