Computational study of an oxetane 4H-pyrazole as a Diels–Alder diene
Tetrahedron Letters(2023)
摘要
Spirocyclization and hyperconjugation activate 4H-pyrazoles as Diels–Alder dienes. The harmonization of spirocyclization and hyperconjugation was used to design a 4H-pyrazole that is predicted to be 730,000 times more reactive than an unactivated 4H-pyrazole.
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关键词
Click chemistry, Cycloaddition, Density functional theory (DFT)
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