A theoretical study of the reactivity and regioselectivity of some ethylene compounds in nucleophilic substitution was carried out using density functional theory with B3LYP/6-31G(d). The relative reactivity of these systems was rationalized by means of the global electrophilicity index. Positional selectivity, namely 1, 2, 3 and 4, was predicted using local electrophilic indices (Parr functions). The present study shows that the experimental results of the relative reactivity and regioselectivity of these reactions is correctly predicted using Parr functions.
