COMPUTATIONAL CHEMISTRY AND ORGANIC SYNTHESIS: LET US BUILD A BRIDGE

The Claisen rearrangement is a classical textbook reaction.[1] However, it still holds the potential to provide new experimental results and a series of novel Claisen-type rearrangements have recently been developed by the Maulide group.[2] Our combined theoretical/experimental study of these transformations reveals a diversity of possible pathways and products. The calculations clarify the experimental results and predict new reactions.[3]