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Home   •   Support and Training  •  SciFinder  •  Strategies  •  Functional Group Searching
Functional Group Searching
Introduction This topic describes how to locate organic synthetic methods based on chemical functional groups using Explore Reactions.
When to use Use functional group searching when you want to find methods used to carry out a broadly defined transformation.
Database content

Functional group searching accesses the records that focus on synthetically useful procedures. For example:

  • New, more convenient, or improved synthetic methods
  • Procedures for improving yields
  • Applications of new reagents
Reaction precision tools

Tools are available to control the precision of functional group search results:

When you want to

Use this tool

Draw a reaction arrow and automatically define the participant roles:

  • reactant/reagent on left
  • product on right

Reaction Arrow tool

wreactionarrow.gif

Change or add the role a reaction participant plays in a reaction

Reaction Role tool

wreactionrole.gif

 

 

 

 

 

 

 

 

 

Example

Using cyclic ketones as the starting material, locate preparations of compounds with this structure:

Image of a Substance

How to Follow these steps to locate a functional group transformation.

Step

Do this

1 Click Explore Reactions.
2

Click the structure drawing image to open the editor.

wchemdraw.gif

3

Draw the reaction transformation of interest.

Apply the following tools to control answer precision:

  • Functional Group tool functionalgrouptool to define the starting material
  • Reaction Arrow and Reaction Role tools to define roles for the reaction participants
  • Lock Rings tool to control ring formation
  • Lock Atoms tool to control substitution

Image of the Reaction in Structure Drawing

4

On the right of the Reaction Editor, select the substructure option.  Click OK.

wreactionselect.gif

5

(Optional) Specify any limits you with to apply.  Click Search.

 Limit Reactions

6

Reaction matches display in summary format.

When you want to see

Do this

The full reaction record, including all steps in multi-step reactions.

OR

Information about a specific reaction participant, such as:

  • Reactions in which a substance participates
  • References about the substance
  • Substance detail, e.g., CAS Registry Number, names, or properties
  • Commercial sources
  • Regulatory information

Click Reaction Detail.

 

 

 quicksearch.gif

The reference citing the reaction Click the reference title link (located below the reaction summary).
A smaller set of more precisely defined reaction matches

Use the Analysis and Refine tabs.

wreactionrefineby.gif

Updated: 10/5/2009 11:06:44 AM
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