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Theoretical Application of Click Reaction to Obtain Heterotricyclic Compounds
1 , * 2
1  Igdir University, Department of Environmental Engineering, Igdir, Turkey
2  Yuzuncu Yil University, Department of Chemistry, Campus, Van, Turkey


1,3–dipolar cycloaddition reactions are the ones which have been widely used for  many years in the synthesis of five–membered heterocyclic compounds, take an important place in organic chemistry. Even though they are very useful, they have been used in the synthesis of significant natural products since early 1980s. In this study, we examined intramolecular synthesis of tricyclic products with the Click Reaction mechanisms, theoretically. The use of azide substituted five and six membered cyclic starting materials and provided obtaining heterotricyclic compounds in one step. Derivatization was performed by changing the ring size (m) and varying substitüent (R). The reaction coordinates for all reactions were formed upon  finding intermediates and transition states.

Keywords: Click Reaction, 1,3-dipolar cycloaddition reactions, transition states, DFT, IRC