Dataset for Tele-substitution Reactions in the Synthesis of a Promising Class of Antimalarials

Abstract

This dataset is supporting information for article "Tele-substitution Reactions in the Synthesis of a Promising Class of Antimalarials". It includes raw NMR data and archive of laboratory journal. The study originates from the work on Open Source Malaria (OSM) Series 4. During SAR exploration of OSM Series 4 we have noticed unusual tele-substitution reaction in 1,2,4] triazolo [4,3-a] pyrazine system. This transformation was studied to understand the influence of different factors (structure of triazolopyrazine, nucleophile and reaction conditions) on the reaction outcome. As a result of series of experiments, including deuteration labelling the mechanism of the tele-substitution reaction was proposed. First zip file, Tele-substitution laboratory jornal.zip, is an archive of the laboratory journal in a raw format with all related information. This information could be used by other researchers to track back the experiments and obtained further inside with more details compared to the journal style information. Thus, some information that could be useful for researchers never gets published, especially unsuccessful experiments. Second zip file, Tele-substitution NMR_DATA.zip, is a collection of unprocessed NMR spectra files alongside with processed files in different formats. Provided files give the flexibility of easier comparison of spectra and the ability to zoom in and inspect some areas of spectra closer if required. This study is part of the Open Source Malaria Project.