Finding synthesis methods in Beilstein

From WolfWikis

To find synthesis references in Beilstein/Gmelin, it is best to know the structure or know the substance's Beilstein Registry Number (BRN). You can get also find syntheses (may be less exact) with a chemical name.

These instructions refer to Crossfire Commander v.7.1. The is the latest release, available from the Libraries' web site.

Finding a synthesis from a structure

• First, follow the instructions on the Structure searching in Crossfire Commander page to draw a new structure or obtain a known structure.
• Make sure the "as product" radio button is selected and there is no extraneous information in the search table (Clear Table button, lower right).
• Click Start Search, click Search in Reactions.

Double-click a reaction to see details and the citation.

Finding a synthesis of a chemical by BRN

The BRN of caffeine is 17705

Start with the procedure for finding substances. Search for the chemical you wish to synthesize:

1. Find Chemical Name (or the field corresponding to other identification information you know, CAS number is recommended) in the hierarchy
2. Double click to add it to the search fields table
3. Now enter search information in field content within the search fields table (e.g., caffeine, nicotine, 100-51-6)
4. View search results.
5. You'll see the BRN listed with the chemical structure. (Image at right)
   
   

• Double-clicking on the substance will give you the available data. Note the BRN, and if there aren't too many reactions (RX) listed, you may be able to browse the results here. Click on the RX and scroll through the reactions, looking for entries in which the BRN is the product. If there are too many to browse or you do not quickly see any in which the substance is a product, continue with the following steps to do a more refined search.
  
  

• At this point you can just as easily do a structure search: Click Copy( ) to send the structure back to the query page. Clear the search table (Clear Table button, lower right).
• Click Search. You may be prompted to search either Reactions or Substances (select Reactions). View the results to see relevant reactions.

OR

1. Note the BRN and return to the search screen by clicking Query (top of the screen). Now we can search for the chemical as a product.
2. Clear the search table first (Clear Table button, lower right).
3. Search for Product BRN in the field search on the left. (It will be found under the Chemical Properties--Reaction part of the hierarchy.) Double click it to add to the search.
4. Enter the BRN in the Field Content.

Click Search. You may be prompted to search either Reactions or Substances (select Reactions). View the results to see relevant reactions.

Finding a synthesis of a chemical by name

This isn't recommended because BRN or structure searches are more exact. Nevertheless, it is fast...

1. Search for Product in the field search on the left. (It will be found under the Chemical Properties--Reaction part of the hierarchy.) Double click it to add to the search.
2. Enter the name of the chemical in the Field Content.
3. Click Search. You may be prompted to search either Reactions or Substances (select Reactions). View the results to see relevant reactions.