The annulation of -hydroxyoximes and 1,3-diyne to synthesize alkynylated isoquinolines regioselectively catalyzed by ruthenium: a theoretical study

The mechanisms of the regioselective annulation of N -hydroxyoximes and 1,3-diyne to synthesize alkynylated isoquinolines by using the catalyst [RuCl 2 ( p -cymene)] 2 have been theoretically investigated with the aid of density functional theory (DFT) calculations. The role of the additive KPF 6 em...

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Veröffentlicht in:Organic & biomolecular chemistry 2022-09, Vol.2 (36), p.7294-731
Hauptverfasser: Liu, Haibo, Shi, Hongpeng, Han, Pengdong, Meng, Zitong, Liu, Tao, Han, Lingli
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