PDF(Pubmed)
Abstract：
Functional group compatibility in an amide bond cleavage reaction with hydrazine was evaluated for 26 functional groups in the functional group evaluation (FGE) kit. Accurate and rapid evaluation of the compatibility of functional groups, such as nitrogen-containing heterocycles important in drug discovery research, will enhance the application of this reaction in drug discovery research. These data will be used for predictive studies of organic synthesis methods based on machine learning. In addition, these studies led to discoveries such as the unexpected positive additive effects of carboxylic acids, indicating that the FGE kit can propel serendipitous discoveries.
摘要：
在官能团评价(FGE)试剂盒中评价了26个官能团在与肼的酰胺键裂解反应中的官能团相容性。准确、快速地评价官能团的相容性,例如在药物发现研究中重要的含氮杂环，将加强该反应在药物发现研究中的应用。这些数据将用于基于机器学习的有机合成方法的预测研究。此外,这些研究导致了一些发现，例如羧酸的意想不到的积极累加效应，表明FGE套件可以推动偶然的发现。
