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Reaxys: Searching by Structure


As a basic example for how to use Reaxys structure searching suppose you would like to search for Acetic Acid (CH₃COOH). 

There are several different methods to find this molecule, a method which will work for every molecule is to draw the structure. Using the Create a Structure  quick search it is possible to draw any structure. the tools on the left side of the menu are to create bonds or groups, structures are at the bottom menu, and elements are available on the right side. For a more complete explanation see Using Structure Editor. 


After entering the structure into the search box hit the Transfer to Query at the bottom-right of the page. This will move the draw structure into the query builder search. Once in Query builder, you can either search as drawn or add more fields to the search. 


Another way to use the structure editor to look up a molecule is to use the Create Structure Template by Name option at the top right of the search box. 


Because in this example we are looking for Acetic Acid it is possible to use the  button.  This is only for Acrylic or Cyclic acids, but is ia a good example of how the menus can work. This menu will not enter the structure in the same was the Structure Builder or Template look up work, this does make it impossible to manipulate the structure by grouping or mapping, but is it very convenient. Simply choose the Acrylic or Cyclic acid you are interested in. 


Query and Results

Once you have entered the structure you are interested in researching use  to add the structure to the search box. The basic search box will look like:

It is possible to add more fields to this search box, to learn more about this see Query builder, text searching . If you are satisfied with the structure search, use the search button at the bottom of the page to find results. The results page will be as follows:


It is possible to use the limiters to the left of the results page to narrow down the substances.