Proceedings of the Symposium on Chemoinformatics
39th Symposium on Chemoinformatics, Hamamatsu
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Oral Session
Theoretical Study on the Aromatic Oxidative Cyclization on N-Methoxy-N-Prenylbenzamide
*Hiroyuki TeramaeKousuke HayashiJun TakayamaTakeshi Sakamoto
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Pages O3-

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Abstract
Although bioactive 2-azaspiro compounds were reported in recent years, there is a few numbers of effective synthetic methods. We found the synthesis of 2-azaspiro compound with the hypervalent iodine reagent in previous report. In this reaction, however, there is a significant substituent effect on the nitrogen atom of amide group. The reaction mechanism is investigated by the stable structures by using the Hamiltonian algorithm.
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