How do I…

 

 

Create a Simple Reaction Query in the CrossFire Commander.

In this example we want to perform a substructure reaction search using one reactant and one product.

1.      Double click the structure area of the CrossFire Commander to open the CrossFire Structure Editor.

 

2.      Draw the reactant and the product.

 

3.      Switch to Reaction mode by clicking the Reaction Mode button.

4.      Using the Select tool, select the reactant.

 

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5.      Click the Reactant button.

6.      Select the product.

 

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7.      Click the Product button.

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8.      Click the To Commander button.

9.      Under Free Sites, choose All Atoms to perform a substructure search.

10.  Next to As Result I want to get, select Reactions from the drop-down menu.

 

11.  Click Start Search.