HRID2346935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID3926861

4-Bromo-3-nitrobenzonitrile

C7H3BrN2O2

反应SMILES：CCCCCCCc1cnc(-c2ccc(Br)c([N+](=O)[O-])c2)nc1

HCID21270910

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCCCCc1cnc(-c2ccc(C#N)c([N+](=O)[O-])c2)nc1

HCID21270874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b12892088f7e4a6a937ce91ff1f66fbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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