title: Factors controlling the facility of transannular Diels-Alder reactions of macrocyclic bis-enones.
abstract: The reactivity of macrocyclic bis-enones in Diels-Alder reactions was examined using quantum chemical calculations. Stepwise pathways for these transannular cycloaddition reactions were shown to predominate. Steric interactions and torsional strain appeared to play a major role in controlling the overall barrier for polycycle formation.
authors.affiliation: Department of Chemistry, Texas A&M University , College Station, Texas 77843, United States.
authors.forename: Q Nhu N
authors.initials: QN
authors.lastname: Nguyen
authors.forename: Jiong
authors.initials: J
authors.lastname: Yang
authors.forename: Dean J
authors.initials: DJ
authors.lastname: Tantillo
mesh_terms: D061565:Cycloaddition Reaction; D047028:Macrocyclic Compounds / Q000737:chemistry*; D015394:Molecular Structure; D011789:Quantum Theory
chemical_list: D047028:Macrocyclic Compounds