Migratory cycloisomerization of 1,3-dien-5-ynes conjugated with pseudopeptides in assembly of benzo[7]annulenes.

Hormoz KhosraviHelya Janatian GhazviniMohammad KamangarFrank RomingerSaeed Balalaie

Published in: Chemical communications (Cambridge, England) (2022)

A novel domino cycloisomerization of 1,3-dien-5-ynes for the synthesis of 7 H -benzo[7]annulenes is reported. The noticeable feature of this domino reaction involves the assembly of the fused bicyclic motifs through a transamidation/5- exo -trig cyclization/8π-electrocyclization sequence in a single step. Finally, mechanistic investigations were conducted experimentally and supported by DFT calculations.

Keyphrases

density functional theory
molecular dynamics
machine learning
photodynamic therapy
deep learning
crystal structure
amino acid