CHEM6612: Scientific Communication in Chemistry II

SciFinderⁿ

Draw a reaction using broadly defined R-groups, then search.

Reaxys

Use Query builder.

1. Scroll through Fields on the sidebar and click Reactions
2. Click Reactant to create a querylet
3. Change is to contains, enter "glycol"
4. On the Fields sidebar click Product
5. Change is to contains in the querylet, enter "aldehyde"
6. Click

In addition to locking atoms, chains, or rings, you can specify:

• which bond(s) should be formed or broken
• which atoms are reaction centers ("mapped")

SciFinderⁿ

Specify bonds to form or break with 

Map atoms with 

Reaxys

Right-click a bond and select Bond properties. Under Reacting center, click an appropriate option.

To map atoms, click   , click an atom in the reactant, and then drag your cursor over to the appropriate atom in the product.

Or:

1. Right-click an atom in the reactant
2. Click Atom properties
3. Click the lock item near Map
4. Assign a number
5. Repeat for the corresponding atom in the product

SciFinderⁿ

1. Search for the substance
2. Click
3. (Filter by Substance Role of Product)

Reaxys

1. Search for the substance
2. Click Reactions
3. (Click Preparations)
4. Try the Find Similar options

"Text" refers to titles, abstracts, and descriptive terms in database records.

SciFinderⁿ

• Get started with an overview of text searching
• Truncate or stem the right side of a character string using *:
   venom*
• "Wildcard" inside a character string using *:
   sul*ur
• More tips

Reaxys

• Truncate or stem the right or left side of a character string using *:
   *sterone
• "Wildcard" inside a character string using *
• Contains is similar to searching for *character string*

SciFinderⁿ

Click Create Retrosynthesis Plan within a substance record.

Reaxys

Usein a substance record to generate potential synthetic pathways