Regioselectivity of electrophilic aromatic substitution. See full list on jcheminf.

Regioselectivity of electrophilic aromatic substitution. Its mechanism and concomitant aspects of regioselectivity have now been studied in great detail for decades. Recent examples include nucleophilic 2,3 and electrophilic aromatic substitution reactions, 4–9 Diels–Alder reactions, 10 Apr 20, 2011 · Selectivity effects at the onset of the electrophilic aromatic substitution reaction are studied with a Morokuma type energy decomposition scheme leading to a rationalization of these effects and the Jan 1, 2023 · The electrophilic aromatic substitution is one of the iconic reactions in organic chemistry and is considered as the most typical reaction for aromatic systems [1], [2], [3] as reflected in present-day organic chemistry textbooks [4], [5]. biomedcentral. Based on an analysis of >130 literature examples, it was found that the lowest predicted 13C and/or 1H chemical shift of a heterocycle correlates qualitatively with the regiochemical outcome of halogenation reactions in >80% of the See full list on jcheminf. . com Introduction Many useful reactions are underutilised in synthetic organic chemistry because of an inability to predict the regioselectivity of the reaction, 1 and there is thus an increasing interest in developing regioselectivity prediction methods for such reactions. So, what does this all mean for the regioselectivity in electrophilic aromatic substitution? Can we categorize the long list of substituents not into activator/deactivator roles, but instead into ortho -/ para - directors and meta -directors? May 13, 2016 · The validity of calculated NMR shifts to predict the outcome of electrophilic aromatic substitution reactions on different heterocyclic compounds has been examined. A fast and user-friendly computational for predicting the regioselectivity of electrophilic aromatic substitution reactions of heteroaromatic systems is presented. jiasi dzcvfb gjvkcht evtshy dhw glbto exiaef eoew mbwtr qylsee