In silico studies to probe the catalytic role of cucurbit[n]uril on [4+2] cycloaddition reaction between cyclopentadiene and methyl acrylate

The catalytic role of cucurbit[n]urils on the reactivity and stereoselectivity of the [4+2] cycloaddition reaction between cyclopentadiene and methyl acrylate has been examined with density functional calculations.