Synthetic Route Design System and the significance in Synthetic Study

Abstract

In synthetic study it is ideal for chemists to examine an exhaustive synthetic route map before starting laboratory work. As commercially available information retrieval systems, SciFinder and Reaxys are commonly used. In our company we are also serving SYNSUP, which is an original synthetic route design system. First, the characteristics and benefits of those systems are briefly described. SYNSUP proposes possible routes for a given target molecule non-interactively. It is accessible via e-mail through both intranets and the Internet. SYNSUP could present new multi-step route candidates by use of reaction rules compiled based on reaction examples in literature. On the other hand reaction information retrieval systems are used to find literature for a particular query, where we have a certain reaction scheme, or a product and some requisite to the reactant in mind. SciFinder and Reaxys are found complementary due to their different coverage of references and kinds of data. To conclude, the combination use of SYNSUP, SciFinder and Reaxys is the most effective to obtain a comprehensive synthetic route map.