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Coupled Electrocyclization/Prototropic Shift in the Biosynthesis of Crotinsulidane Diterpenoids
The Journal of Organic Chemistry ( IF 3.3 ) Pub Date : 2018-01-09 00:00:00 , DOI: 10.1021/acs.joc.7b02904 Renan B. Campos 1 , Dean J. Tantillo 2
The Journal of Organic Chemistry ( IF 3.3 ) Pub Date : 2018-01-09 00:00:00 , DOI: 10.1021/acs.joc.7b02904 Renan B. Campos 1 , Dean J. Tantillo 2
Affiliation
The energetic viability of proposed mechanisms for the formation of the five-membered ring in crotinsulidane diterpenes is assessed using density functional theory calculations. A protonation-assisted coupled four-electron electrocyclization/prototropic shift mechanism is predicted to have a low (biologically relevant) barrier.
中文翻译:
crosusulidane二萜类生物合成中的耦合电环化/质变位移。
使用密度泛函理论计算评估了拟定的丁烯二烷二萜中五元环形成机理的能量活力。质子辅助的耦合四电子电环化/质变位移机理预计具有较低的(生物学相关的)势垒。
更新日期:2018-01-09
中文翻译:
crosusulidane二萜类生物合成中的耦合电环化/质变位移。
使用密度泛函理论计算评估了拟定的丁烯二烷二萜中五元环形成机理的能量活力。质子辅助的耦合四电子电环化/质变位移机理预计具有较低的(生物学相关的)势垒。