Quantum chemical study of reaction mechanism of [4+2]-cycloaddition between 2,3-dimethylbuta-1,3-diene and methyl acrylate

The quantum-chemical modeling mechanism of the [4+2]-cycloaddition reaction of 2,3 dimethylbuta-1,3-diene and methyl acrylate was conducted. Its qualitative aspects were analyzed at the molecular level by the program MOPAC2012 and semiempirical method RM1.