One of the most useful functions of Reaxys is the ability to synthesize substances using commercially available substances. For relatively simple searches you can perform a basic search and retrieve reaction information. For more complex structures you can also create synthesis plans using retrosynthesis. A brief explanation of both will be given below.
In 2021 the synthesis planner received an update and the new name 'retrosynthesis. This update allows for more convenient and elaborate plans to synthesize chemicals.
To find information on the synthesis of a substance you can use the quick search menu. You can enter a substance name or chemical formula in the search bar, or draw a structure yourself. In the draw-menu you can also insert a structure from name to edit further.
By selecting a substance and clicking 'preparations' in the top-right corner you can find further details on the preparation of a substance. Here you can find experimental procedures, conditions and corresponding articles.
The retrosynthesis menu allows you to either insert a structure from name or draw a structure yourself. Here you can enter the name of a chemical, for example the well known painkiller ibuprofen. Please note that the chosen chemicals only serve as an example to illustrate the functions of the database.
In the bottom-right corner you can then select 'synthesize'. This will show the following menu. As you can see underneath the molecule there are already 80 suppliers for this particular molecule. If you wish to synthesize this molecule, you can view the synthesis routes by clicking 'view'.
Here you can see the separate components that are needed for the reaction and get an overview of the possible synthesis routes. By selecting 'tree view' you can get a comprehensive overview of the different reaction steps. By clicking the three dots in the bottom-right corner of a substance you can also find details on the preparation of the substances. You can furthermore find details on each separate substance, such as bioactivity and spectra data.
For very complex substances you may need to add additional reaction steps. In order to add a step, click the + icon in front of one of the substrates. You are now presented with a list of reactions to synthesize the selected molecule. By clicking the molecule and selecting 'Add' you can include the reaction step in your overview.
This will create the following tree.
