Microwave-Assisted Synthesis of β-Cyanoketones under Bucherer–Bergs Conditions and Their Antimicrobial Evaluation and In Silico Studies

The microwave-assisted synthesis of β-cyanoketones from chalcones under Bucherer–Bergs reaction conditions was described. The structure of the synthesized compounds was elucidated by FTIR-ATR, 1H and 13C NMR, MS/CI, and elemental analyses. All compounds were evaluated for their in vitro antibacterial against three Gram-positive and four Gram-negative bacterial strains. Moreover, their in vitro toxicity was evaluated by the Artemia salina assay, and the most active antibacterial agents were analyzed in silico.