HRID138530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID69887

(2,4-Dichlorophenoxy)acetyl chloride

C8H5Cl3O2

结构：CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(CO)c1[N+](=O)[O-]

HCID156688

3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol

C13H19N3O5

PRODUCTS

生成物

结构：CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(COC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

HCID12940764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d8e9372cbe94700a4507ba9747bb0d6
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]([CH3:2])[CH:3]([CH2:4][CH3:5])[NH:6][c:7]1[c:8]([N+:19](=[O:20])[O-:21])[c:9]([CH2:10][OH:11])[c:12]([CH3:18])[cH:13][c:14]1[N+:15](=[O:16])[O-:17].[Cl:22][c:23]1[c:24]([O:25][CH2:26][C:27](=[O:28])[Cl:29])[cH:30][cH:31][c:32]([Cl:34])[cH:33]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[NH:6][c:7]1[c:8]([N+:19](=[O:20])[O-:21])[c:9]([CH2:10][O:11][C:27]([CH2:26][O:25][c:24]2[c:23]([Cl:22])[cH:33][c:32]([Cl:34])[cH:31][cH:30]2)=[O:28])[c:12]([CH3:18])[cH:13][c:14]1[N+:15](=[O:16])[O-:17]