부산대학교 도서관

Digitalization of information on organic reactions is essential for developing next-generation organic syntheses with artificial intelligence and machine-learning (ML) methods. In this regard, reliable information on functional group compatibility and chemoselectivity is critical for understanding the applicability of the reactions. Herein, we report the digitalization of organic reactions using a functional group evaluation (FGE) kit that allows for accurate and rapid assessment of information on the functional group compatibility and chemoselectivity of given organic reactions. Our 26 FGE compounds were used to evaluate 4 types of organic reactions (i.e., cross-coupling, proline-catalyzed aldol, condensation, and ketimine synthesis reactions). As a result, we obtained valuable information for developing a new model of retrosynthetic analysis tools and a deeper understanding of these reactions.We report a functional group evaluation (FGE) kit that allows accurate and rapid assessment of functional group compatibility and chemoselectivity information of given organic reactions. Our 26 FGE compounds evaluated four types of reactions and provided valuable information for the digitalization of organic reactions for developing a new model of retrosynthetic analysis tools and a deeper understanding of given reactions.