Mechanistic insights into the Rh(<scp>i</scp>)-catalyzed transannulation of 1,2,3-thiadiazoles with alkenes, alkynes, and nitriles: Does the intermediacy of α-thiavinyl Rh-carbenoids play an important role?
Kang Lv, Xiaoguang Bao
Abstract
Density functional theory (DFT) calculations were performed to gain an in-depth mechanistic understanding of the Rh(<sc>i</sc>)-catalyzed transannulation of 1,2,3-thiadiazoles with alkenes, alkynes, and nitriles.
Topics & Concepts
ThiadiazolesChemistryCatalysisDensity functional theoryMedicinal chemistryComputational chemistryStereochemistryOrganic chemistryCyclopropane Reaction MechanismsCatalytic C–H Functionalization MethodsCatalytic Alkyne Reactions