Theoretical characterization of the mechanisms of (3+2) and (4+3) cycloaddition reactions yielding five- and seven-membered ring cycloadducts

Examined here are mechanistic aspects of various means of preparing five- and seven-membered ring cycloadducts. Ab initio computational methods were used to calculate the lowest energy reaction pathway to the cycloadducts and compared to the energetics of possible electrophilic substitution side reactions. The first cycloaddition reactions involve (4+3) and (3+2) cycloaddition reactions of...