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Transborylation of alkenylboranes with diboranes.

Paula Dominguez-MolanoGerard BruOriol SalvadóRicardo J MazaJorge J CarbóElena Fernández
Published in: Chemical communications (Cambridge, England) (2021)
Exchange of boryl moieties between alkenylboranes and diboron reagents has been postulated as a stereospecific cross-metathesis pathway with concomitant formation of mixed diboron reagents. DFT calculations propose a mechanism for the stereocontrolled C(sp2)-B/B'-B' cross-metathesis with both symmetric and non-symmetric diboron reagents.
Keyphrases
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • molecular docking