| Introduction |
This section describes how to locate organic synthetic methods using the Get Reactions feature of Explore by Reaction Structure. |
| When to use |
Use full reaction searching when you want to locate organic synthetic pathways with specific structural transformations. Structures can be specified on:
- Both sides of the reaction arrow
- The reactant side of the reaction arrow only
- The product side of the reaction arrow only
|
| Behind the scenes |
Full reaction searching accesses the CASREACT database. Records in CASREACT focus on synthetically useful procedures. For example:
- New, more convenient, or improved synthetic methods
- Procedures for improving yields
- Applications of new reagents
|
| Preview |
Locating full reactions containing a structural transformation of interest is a 2-step process:
- Locate relevant reactions for the transformation of interest
- (Optional) Refine results, based on precision criteria
|
| Example |
Locate reactions matching the following structural transformation:
|
| Locate relevant reactions |
Follow these steps to locate a structural transformation: |
| Step |
Do this: |
| 1 |
From the New Task dialog box, click Explore  . |
| 2 |
From the Explore dialog box, click Reaction Structure  . |
| 3 |
The structure drawing window appears. Draw the reaction transformation of interest. Click Get Reactions.
Tip: Apply the following tools to control answer precision:
- Lock Out Rings tool to control ring formation
- Reaction Arrow tool to define the reaction participants
- Atom Mapping tool to map an atom between reactant and product
|
| 4 |
The Get Reactions dialog box appears. Select the substructures option. Click OK.
|
| 5 |
The reaction viewer displays all the reaction matches.
| When you want to see |
Do this |
|
Information about a specific reaction participant, such as
- Reactions in which the specific substance participates (SciFinder subscribers only)
- References about the substance
- Substance detail, e.g., CAS RN, names, or properties
- Commercial sources
- Regulatory information
|
- Position the cursor over any structure or CAS RN in a reaction.
- Click.
|
| The reference citing the reaction |
Reference: hyperlink |
|
A smaller set of more precisely defined reaction matches
|
Click Analyze/Refine  .
The Analyze or Refine dialog box appears. Click Refine  .
The Refine by Reaction dialog box appears. Click Chemical Structure, Product Yield, Number of Steps, or Reaction Classification.
| | |
Updated 4/15/2009 10:51:08 AM
