Meisenheimer complexes as hidden intermediates in the aza-SNAr mechanism

In this work we report a computational study about the aza-SNAr mechanism in fluorine- and chlorine-containing azines with the aim to unravel the physical factors that determine the reactivity patterns in these heterocycles towards propylamine. The nature of the reaction intermediate was analyzed in...

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Veröffentlicht in:	Organic & biomolecular chemistry 2020-06, Vol.18 (22), p.4238-4247
Hauptverfasser:	Ormazábal-Toledo, Rodrigo, Richter, Sebastián, Robles-Navarro, Andrés, Maulén, Boris, Matute, Ricardo A, Gallardo-Fuentes, Sebastián
Format:	Artikel
Sprache:	eng
Schlagworte:	Azines Cartesian coordinates Chlorine Computation Computer applications Electronic structure Fluorine Intermediates Physical factors Reaction intermediates
Online-Zugang:	Volltext
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