SET UP A NEW ANALYSIS

Manual Retrosynthesis with SYNTHIA™ is based on our proprietary algorithms, which use an expert-coded database of rules to find all possible disconnections for your target molecule. You may then select the reaction you like best, and start a new search for the suggested precursors until you land on commercial or published starting materials. It is a hands-on approach, that allows you to navigate step-by-step through the synthesis, starting with the target molecule, and working iteratively backwards. To help you get started, this guide describes the basic functions of the manual retrosynthetic design mode within 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 search parameters affect your results. The molecule used throughout this manual is Ivacaftor, CAS number: 873054-44-5, SMILES string: CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2cnc3ccccc3c2O)cc1O