INTRODUCTION

Retrosynthetic Analyses with SYNTHIA™ Retrosynthesis software are based on our proprietary algorithms, which explore and rank reactions generated from an expert-coded database of rules to plan full synthetic pathways for your target molecules, going back to commercially available and published starting materials.

The database of expert-coded rules contains transformations that you would find in organic chemistry textbooks or in the literature. These rules have been hand-coded by PhD level chemists and can account for incompatible functional groups in your reaction or recognize functional groups that need to be protected.

To help you get started, this guide describes how to set up and customize an analysis with SYNTHIA™.

When you begin to use the software, we recommend that you experiment with the same molecule, so that you can see how changes in analysis settings affect your results.

The molecule used throughout this manual is sitagliptin, SMILES string:
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F