HRID2158526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID89648

2-Chloro-3-methyl-5-nitropyridine

C6H5ClN2O2

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)NC1=O

HCID76834838

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(c2ncc([N+](=O)[O-])cc2C)C1=O

HCID76834830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75197ffd52d44d3a9c09144c0a714840
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:25])[C:5](=[O:24])[NH:6][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.[Cl:26][c:27]1[n:28][cH:29][c:30]([N+:34](=[O:35])[O-:36])[cH:31][c:32]1[CH3:33]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:25])[C:5](=[O:24])[N:6]([c:27]2[n:28][cH:29][c:30]([N+:34](=[O:35])[O-:36])[cH:31][c:32]2[CH3:33])[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