HRID148231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66011

4-Nitrobenzylbromide

C7H6BrNO2

HCID79266

4-Nitrophenethyl bromide

C8H8BrNO2

HCID12816873

1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione

C10H16N4O2

HCID13387154

6-[(2-Aminoethyl)amino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

C8H14N4O2

PRODUCTS

生成物

结构：Cn1c(NCCNCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O

HCID20061156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc2bcb08904f48208102ac9239f439ee
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

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