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Reaxys (English): Synthesis planner

Information about Reaxys, a web-based chemical database

Save your synthesis plan

It is possible to save your previously made Synthesis plans. This is done by clicking on the save icon in the top of your screen.

 

Warning: Reaxys saves your synthesis plan as .JSON file. This file type is a text-based file that does not provide you with readable information. You need to import the .JSON file using the import icon to read its contents in Reaxys.

 

Export your synthesis plan

Since saving your file using the save icon will not provide you with a readable overview, it can be useful to save your synthesis plan in a different file format. This can be done by clicking on the export icon. Then you can convert your synthesis plan to for example a .PDF. 

Warning: The only file type that is importable in the Reaxys Synthesis planner is .JSON. This means that, if you want to expand or reanalyze your synthesis plan in Reaxys at a later time point, you need to have your .JSON file saved. It can therefore be useful to both save your plan as .JSON and export it as PDF.

How does it work?

With the Synthesis planner you can design a synthesis route using literature present in Reaxys. This can be done either automatically - Autoplan: Reaxys chooses different routes - or Manually - Manual plan: you chooses which reactions you want to have in your design.

Step 1 - Add your product
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Execute a search in Reaxys for the product you want to synthesize. Click on the icon of the tree diagram, a menu will appear where you can choose between Manual and Autoplan.

Step 2 - Indicate how extensive your plan should be (Autoplan)
If you do not have much information about how you want to synthesize your compound and you want a suggestion from Reaxys, it can be useful to select the option Autoplan. A menu will appear:

 

Here you can determine how many alternative synthesis plans (if possible) Reaxys has to provide for a certain product. By altering the amount of alternative branches and the maximum number of steps it is possible to tune the complexity of your synthesis plan. Hint: For lesser known, complex structures it is better to start with a low number of maximum alternative branches. By doing this you circumvent building very complex synthesis routes that are hard to follow.

Stap 3 - Analyse the reactions
Below a synthesis plan for Aspirin is depicted, automatically generated by Reaxys.

  1. By clicking on the 3 dots you can find more information about this specific step. Here you can find specific literature and read under which reaction condition this conversion is possible. The percentage that is written at this conversion is the yield found in the article that is given the highest Reaxys Ranking score.

  2. It is possible that one of the reactants that is used for the designed synthesis plan is not commercially available or available at your research institute. In this case it is possible to create another synthesis plan for this reactant and merge it with the existing synthesis plan of your end-product by again clicking on the diagram icon.