HRID2141931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID7172301

1-(3-bromopropoxy)-3-nitrobenzene

C9H10BrNO3

HCID12816873

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

C10H16N4O2

PRODUCTS

生成物

结构：Cn1c(N2CCN(CCCOc3cccc([N+](=O)[O-])c3)CC2)cc(=O)n(C)c1=O

HCID10001216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14cf0bfcbacd46be9a8d96d16993519c
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

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