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Aromatic Claisen Rearrangements of O-prenylated tyrosine and model prenyl aryl ethers: Computational study of the role of water on acceleration of Claisen rearrangements

LynF, an enzyme from the TruF family, O-prenylates tyrosines in proteins; subsequent Claisen rearrangements give C-prenylated tyrosine products. These reactions in tyrosines and model phenolic systems have been explored with DFT and SCS-MP2 calculations. Various ab initio benchmarks have been comput...

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Detalhes bibliográficos
Main Authors: Osuna, Sílvia, Kim, Seonah, Bollot, Guillaume, Houk, K. N.
Formato: Artigo
Idioma:Inglês
Publicado em: 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3873100/
https://ncbi.nlm.nih.gov/pubmed/24376368
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/ejoc.201201738
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