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How and Why to Investigate Multicomponent Reactions Mechanisms? A Critical Review

Marcelo O. Rodrigues, Marcos N. Eberlin, Brenno A. D. Neto

2021The Chemical Record52 citationsDOI

Abstract

We review the most innovative efforts and greatest challenges faced when elucidating multicomponent reactions (MCRs) mechanisms. When compared to traditional reactions, the often two or more concurrent reactions pathways and the greater number of possible intermediates in MCRs turn their mechanistic investigation both a harder and trickier task. The common approaches used to investigate reaction mechanisms are often unable to clarify MCRs mechanisms; hence few but clever approaches are currently used to determine these mechanisms and to depict their key transformations. Their complexity has required most innovative approaches and the use of a number of unique techniques that have shed light over the favored pathway selected from the myriad of alternatives theoretically available for MCRs. This review focuses on the most successful efforts applied by a few leading groups to perform these puzzlingly investigations.

Topics & Concepts

EpistemologyPhilosophyComputational Drug Discovery MethodsMulticomponent Synthesis of HeterocyclesChemical Synthesis and Analysis
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