Remote N-H activation of indole aldehydes: an investigation of the mechanism, origin of selectivities, and role of the catalyst

In this study, a density functional theory (DFT) method was utilised to predict the reaction mechanism of N-heterocyclic carbene ( NHC )-catalysed remote N-H activation in indole aldehydes for the synthesis of enantiomerically enriched oxazinoindole derivatives. Simulation results indicate that the...

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Veröffentlicht in:	New journal of chemistry 2022-02, Vol.46 (6), p.2761-2776
Hauptverfasser:	Shyam, Abhijit, Pradhan, Amit Kumar, Mondal, Paritosh
Format:	Artikel
Sprache:	eng
Schlagworte:	Aldehydes Cycloaddition Density functional theory Molecular orbitals Oxidation Protons Quinones Reaction mechanisms Regeneration Selectivity
Online-Zugang:	Volltext
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