Computational Exploration of the Mechanism of Critical Steps in the Biomimetic Synthesis of Preuisolactone A, and Discovery of New Ambimodal (5 + 2)/(4 + 2) Cycloadditions

Medicine & Life Sciences

• Cycloaddition Reaction 82%
• Biomimetics 62%
• quinone 44%
• Density Functional Theory 21%
• Molecular Dynamics Simulation 13%
• Bicarbonates 13%
• Acids 9%

Engineering & Materials Science

• Cycloaddition 100%
• Biomimetics 59%
• Density functional theory 18%
• Ions 11%
• Acids 11%
• Computer simulation 6%

Chemical Compounds

• Cycloaddition 42%
• Benzilic Acid Rearrangement 21%
• Ring Contraction 15%
• Molecular Dynamics 9%
• Adduct 8%
• Density Functional Theory 7%