A density functional theory study of the reactions of furans with substituted alkynes to form oxanorbornadienes and subsequent [4 + 2] and [2 + 2 + 2] addition reactions
Abstract:This work investigated theoretically, at the M06/6‐311++G(d,p) level of theory, the Diels–Alder reactions of furan with substituted alkynes to afford oxanorbornadienes and the subsequent [4 + 2] and [2 + 2 + 2] cycloaddition reactions leading to the formation of heterocyclic furans, deltacyclenes, and bicyclic oxanorbornadienes, which have high utility in the chemical and pharmaceutical industries. The results show that in the initial Diels–Alder reactions to afford oxanorbornadiene intermediates, reactions of… Show more
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