Computationally unraveling the mechanism and selectivity of five and six membered N‐heterocyclic carbene‐catalyzed alkyne hydrochalcogenation

The present work is intended to bring to the forefront a relatively less explored area of N‐Heterocyclic Carbene (NHC) catalyzed alkyne hydro‐ thiolation and selenation reactions by exploring the reaction mechanism. Reaction mechanism involves chalcogenol activation followed by alkyne insertion and...

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