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Guiding Target Synthesis with Statistical Modeling Tools: A Case Study in Organocatalysis.

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Practitioners are generally not willing to explore modern reactions where considerable synthetic effort is required to generate materials and the results are not certain. Organocatalysis exemplifies this, in which a… Click to show full abstract

Practitioners are generally not willing to explore modern reactions where considerable synthetic effort is required to generate materials and the results are not certain. Organocatalysis exemplifies this, in which a broad set of enantioselective reactions have been successfully developed but further applications to include additional substrates are often not performed. Herein we demonstrate how statistical models can be utilized to accurately distinguish between different catalysts and reactions to guide the selection of efficient synthetic routes to obtain a target molecule.

Keywords: statistical modeling; guiding target; synthesis statistical; modeling tools; target synthesis; target

Journal Title: Organic letters
Year Published: 2022

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