Kopchuk, D.S.Nikonov, I.L.Khasanov, A.F.Giri, Koushiki.Santra, S.Kovalev, I.S.Nosova, E.V.Gundala, S.Venkatapuram, P.Zyryanov, G.V.Majee, A.Chupakhin, O.N.2018-08-242024-08-132018-08-242024-08-132018Kopchuk, Dmitry S., Nikonov, Igor La and Khasanov, Albert F. et. Al (2018) Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels Alder reaction versus aryne-mediated domino process. Organic & Biomolecular Chemistry. 16(28), 5119-5135. 10.1039/c8ob00847g1477052010.1039/c8ob00847ghttps://kr.cup.edu.in/handle/32116/1572The interactions between substituted 5-R-3-(pyridyl-2)-1,2,4-triazines with in situ generated substituted aryne intermediates have been studied. The reaction afforded either inverse demand (ID) aza-Diels-Alder products or 1,2,4-triazine ring rearrangement (domino) products as major ones depending on the nature of both the substituents at the C5 position of the 1,2,4-triazine core or in the aryne moiety. The structures of the key products were confirmed based on X-ray data. Based on the density functional theoretical (DFT) studies of the Diels-Alder transition state geometries, the influence of the nature of arynes on the direction of the 1,2,4-triazine transformation has been proposed.en-USArticlehttp://pubs.rsc.org/en/Content/ArticleLanding/2018/OB/C8OB00847G#!divAbstract