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Library Research Guides

Reaxys: Beilstein/Gmelin/Patent Chemistry

Resources and how-to guide to use Reaxys efficiently

Example

Search Reaxys for reactions to synthesize Nicotine.

Nicotine Structure

Search Reactions to Synthesis a Substance in Reaxys

  • Connect to Reaxys here
  • Make sure you are at the "Reactions" Tab
  • Double click on the Structure Query area to open the Structure Editor or Use the  "Generate structure from name" function to generate target structure
  • The default setting for reactions search is to use the structure in the search box as product.
  • Hit "Search".

Reaxys reaction search

 

  • Reaction search results are listed in a table containing the reactions, the yields, the reaction conditions, and the references. You may choose the desired reactions based on the information. You may also click on the MGetIt to access the full text of references to see more details of the synthesis.

reaction search results

Develop Synthesis Plans

 

The Synthesis Plans tool can be used to develop multiple steps synthesis of a substance. For example, after the above search on Nicotine synthesis,

  • Select the reaction you would like to use, then click on "Synthesis" link under the Nicotine structure in the reaction. The selected reaction will be brought into the "Synthesis Plans" tool.

Synthesis plans tool 1

 

  • If you need to find how to synthesize the reagent(s) used to synthesize the final product, you may click on the "Synthesis" under that reagent(s) in the box at the top of the Synthesis Plan tab.
  • The reactions to synthesize the particular reagent(s) will be displayed under the Synthesis Plans box.
  • You may go through the details of the reactions and use the "Add" button on the side of the desired reaction to add this step to your synthesis plan. 

Synthesis plans tool 2

 

  • In the multiple steps synthesis plan, you will find a chart displaying the steps, reaction details of each step and the reference containing the reactions. You may use the "Output" button to print the synthesis plan you build. 

Synthesis plan

 

  • Input the title of your synthesis plan and click on OK in the popup window.
  • You may download the synthesis plan when it is ready. 

Synthesis plan output