HRID937411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID77568

Benzene, 1-(bromomethyl)-3-nitro-

C7H6BrNO2

HCID81531

Diisopropylethylamine

C8H19N

结构：C#CCOc1ccc(N)c(C(=O)c2ccc(C(C)C)cc2)c1

HCID45139628

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1ccc(NCc2cccc([N+](=O)[O-])c2)c(C(=O)c2ccc(C(C)C)cc2)c1

HCID86761896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b79ec192da14df186684548dad9b3ee
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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