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Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.

Blanca Parra-CadenasCarlos GinésDaniel García-VivóDavid ElorriagaFernando Carrillo-Hermosilla
Published in: Dalton transactions (Cambridge, England : 2003) (2024)
A synthesis of iminopyridines based on zinc has been developed. The commercially available ZnEt 2 was employed as a precatalyst for this process. A mechanism has been proposed on the basis of Density Functional Theory (DFT) studies and stoichiometric reactions. The zinc amidinato intermediates underscore the critical role of zinc in this synthesis process.
Keyphrases
  • density functional theory
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  • molecular dynamics
  • molecular docking
  • case control