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Theoretical Studies of five-membered aromatic Heterocycles in Cycloaddition Reactions as a Complement of the Experimental Researches
Published: 30 November 2006 by MDPI in The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry
Abstract: It has been demonstrated that five-membered aromatic heterocycles are capable of undergoing normal electron demand Diels-Alder reactions with a variety of dienes. The global electrophilicity index of these dienophiles have been studied in order to predict the relative reactivity towards cycloaddition reactions. Influence of the type of substitution have also been discussed and compared with experimental results.
Keywords: five-membered aromatic heterocycles, dienophiles, Diels-Alder, electrophilicity index