Divulging the Regioselectivity of Epoxides in the Ring-Opening Reaction, and Potential Himachalene Derivatives Predicted to Target the Antibacterial Activities and SARS-CoV-2 Spike Protein with Docking Study
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DOI: 10.1016/j.molstruc.2021.130864
Abstract: Abstract The ring-opening reaction of epoxides 1b and 1c utilizing LiAlH4, have been studied within the Molecular Electron Density Theory (MEDT) at the B3LYP/6-31(d) computational level. The regioisomeric reaction paths including the two oxiranes cycles… read more here.
Keywords: opening reaction; antibacterial activities; reaction; divulging regioselectivity ... See more keywords