In recent years, dynamic covalent chemistry (DCC) has seen the synthesis of increasingly complex cyclooligomers, polymers, and diverse compound libraries. The reversible formation of covalent bonds characteristic of DCC reactions favors thermodynamic product distributions for simple unitopic reactions; however, kinetic effects are increasingly influential in reactions of multitopic precursors. In this review, we explore the interplay between thermodynamic and kinetic considerations when planning a DCC synthesis. Computational models, typically based on reaction thermodynamics, have aided in predicting DCC reaction outcomes with moderate success. A clear direction for the field is to develop more robust computational tools informed by thermodynamic and kinetic driving forces that can predict product distributions in DCC reactions.
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