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

Autor:	Isaiah O. Betinol, Yutao Kuang, Jolene P. Reid
Rok vydání:	2022
Předmět:	Organic Chemistry Physical and Theoretical Chemistry Biochemistry
Zdroj:	Organic Letters. 24:1429-1433
ISSN:	1523-7052 1523-7060
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f20273e2f74bcf106f7aa129242a1b99 https://doi.org/10.1021/acs.orglett.1c04134 Zobrazit plný text záznamu