The conditions for the C-N bond forming reaction (C-N coupling reaction) between alpha-bromocarboxylate and nitrogen-containing non-aromatic heterocyclic rings under heterogeneous copper(I) oxide catalysis are investigated in this paper. All the generated compounds were fully characterized by IR, NMR and MS spectroscopy. Ab initio/DFT calculations of partial charges on nitrogen atoms in all the discussed heterocycles and on C((2)) of carboxylate under applied conditions were predicted. These in silico results correlate relatively with the experimental observations.

• MeSH
• heterocyklické sloučeniny chemie   MeSH
• hmotnostní spektrometrie MeSH
• katalýza MeSH
• magnetická rezonanční spektroskopie MeSH
• měď chemie   MeSH
• molekulární struktura MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH
• Názvy látek
• cupric oxide MeSH Prohlížeč
• heterocyklické sloučeniny MeSH
• měď MeSH