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Searching SciFinder

Exploring Reactions

Entering Your Search

There are several tools to enter a reaction search. These include the structure drawing tools and four unique tools for reactions. These unique tools are; Structure templates(the green box), Lasso (the gray circle) , Lock ringfusion or formation (the blue key), and Lock atoms (the red key). 

 Structure templates = Searchable templates of all major chemical structures

 Lasso = Used to select and drag objects

 Lock ring fusion or formation = Used to block a ring from further ring fusion or prevent a chain from ring formation

 Lock atoms = Used to block atomic substitution 

It is possible to assign roles to any specific structure search using  tool.

The options for roles are;

  • product

  • reactant

  • reagent

  • reactant/reagent

If this tool is not used the search will run with all structures as "Any Role"

Retrieving Your Results

Reading the Results

There are up to three parts to any of the results, the steps, the overview, and sometimes the experimental procedure. 

  • Steps

    • Break down the chemical reaction step by step with a structure drawing for each change in the process. 

    • It is possible to view a details associated with each step including; viewing substance detail, searching explore by structure, synthesizing the molecule, finding reaction where the product plays a specific role, getting commercial sources, or regulatory information or references.  

    • If you performed a substructure reaction search, the substructure will be highlighted in red.

  • Overview

    • A step by step process without the structures

    • Notes on the reactants,regents, solvents, and stages 

    • References to any papers written about the reaction 

  • Experimental Procedure

    • The specific techniques used to create a particular reaction

    • This is not available for every possible reaction in Scifinder

Click Get References to be taken to a list of the articles in which these reactions appeared. 

Analyzing and Refining Your Results

Use Analyze tool to the left of your reaction, you can analyze the reaction using the drop down menu.  The categories you can analyze by are: Authors name, Catalyst, Company/Organization, Document Type, Journal Name, Language, MethodsNow, Number of Steps, Product Yield, Publication Year, Reactant, and Solvent.

Once you have chosen the category and you are interested in click on show more to choose more than one possible option or simply click on the option you are interest in.

Refining the results

Just like with the research topic search you can also further refine your reaction search by the following categories:

  • Reaction Structure - allows the user the draw a structure in the structure editor

  • Product Yield - upper and lower limit percents

  • Number of Steps - self explanatory

  • Reaction Classification or Excluding Reaction Classification- (Bio-transformation, Catalyzed, Chemo-selective, Combinatorial, Electrochemical, Gas-phase, Non-catalyzed, Photochemical, Radiochemical, Regio-selective, Stereo-selective)

  • Nonparticipating functional groups - by classes, rings, or all 217 options 

Screen shots throughout this guide are taken from SciFinder and are used with permission from CAS. Copyright 2020 American Chemical Society, all rights reserved.