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Keywords:

  • carbocyclization;
  • computational chemistry;
  • cyclopropane;
  • metallacycles;
  • rhodium
Thumbnail image of graphical abstract

In silico veritas? Maybe not the whole truth, but very helpful suggestions and guidelines for the experimental work can be deduced from computational studies on Rh-catalyzed [3+2+1] cycloaddition reactions for the construction of cis-fused bicyclohexenones from alkylidenecyclopropanes and carbon monoxide.