Tetrahedron p. 12415 - 12424 (1997)
Update date:2022-08-02
Topics:
Jikyo, Tamaki
Eto, Masashi
Harano, Kazunobu
Molecular orbital calculations were carried out to interpret the reaction behavior of the formation reaction and structural feature of double Diels-Alder (DDA) adduct derived from three-step sequential pericyclic reactions of 2-pyrone with cycloocta-1,5-diene. The experimental results are correctly predicted by the ab initio calculations at the 3-21G level.
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