Published in
Royal Society of Chemistry, Organic and Biomolecular Chemistry, 2(18), p. 292-304, 2020
DOI: 10.1039/c9ob02467k
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A molecular electron density theory study of the enhanced reactivity of aza aromatic compounds participating in Diels–Alder reactions
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Abstract
The change of C–H by N: in these aromatic compounds decreases the ring electron density (RED), thus decreasing the activation energies of the aza Diels–Alder reactions mainly by the loss of the aromatic character of the reagents.