Towards the Development of Synthetic Routes Using Theoretical Calculations: An Application of In Silico Screening to 2,6-Dimethylchroman-4-one

Towards the Development of Synthetic Routes Using Theoretical Calculations: An Application of In Silico Screening to 2,6-Dimethylchroman-4-one

This study describes an attempt to develop a synthetic route using theoretical calculations, i.e., in silico synthesis route development. The KOSP program created four potential synthetic routes for generating 2,6-dimethylchroman-4-one. In silico screening of these four synthetic routes was then per...

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Bibliographic Details
Main Authors: Hidetoshi Yamamoto, Michinori Sumimoto, Takaaki Kuroda, Kenji Hori, Hirotaka Sadatomi, Atsuo Miyamoto
Format: Article
Language:English
Published: MDPI AG 2010-11-01
Series:Molecules
Subjects:
In silico screening
synthetic route development
theoretical calculations
Mitsunobu reaction
Michael reaction
Online Access:http://www.mdpi.com/1420-3049/15/11/8289/

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http://www.mdpi.com/1420-3049/15/11/8289/

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