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Reaction Data

If you select both chemical indexes and you enter term(s) in the Reaction Data section, then you will only retrieve records from Current Chemical Reactions.

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Search Logic and Rules

The system uses an implicit AND operator when you enter two or more adjacent chemical terms in the same field or when you initiate a search in which you have entered chemical terms in multiple search fields. For example:

  • Apoptosis AND Antineoplastic finds the same number of compound records and reaction records as Apoptosis Antineoplastic.

Enclose terms in quotation marks if you wish to search for exact chemical phrases. For example, enzyme activity retrieves compound records that contain the phrase "enzyme inhibiting activity" or "enzyme activity". However, "enzyme activity" only retrieves compound records that contains the phrase "enzyme activity".

These rules apply to the following chemical text fields.

  • Compound Name
  • Compound Biol. Act
  • Reaction Keyphrases
  • Reaction Comments
  • Other

Parentheses in Structure Search Queries

You do not have to use parentheses in your search queries. For example, the following seach queries return the same number of results as Gly AND asp OR ser NOT val.

  • (Gly AND asp OR ser NOT val)
  • (Gly AND (asp OR ser) NOT val)
  • (Gly AND asp OR (ser NOT val))

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Reaction Data Searching

  1. Go to the More Settings section of the Structure Search page and select the timespan that you want to search.

  2. Select the chemical index that you want to search. They include Index Chemicus and Current Chemical Reactions.

  3. In the Reaction Data section, enter term(s) in one or more Reaction Data fields. You can enter up to 11 different terms joined by search operators.

  4. [Optional] Scroll up to the Structure Drawing section and create a chemical structure query.

  5. [Optional] Scroll up to the Compound Data section and enter compound terms.

  6. Click the Search button to go to the Reactions Results page.

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Reaction Data Fields

Atmosphere

Select a value from the menu: Any, Air, O2, N2, H2, He, Ar, CO, CH4, or CO2

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Refluxed Flag

Check the box to retrieve reactions that have been flagged as refluxed. The default setting is left unchecked, which means reactions are retrieved regardless of the contents of the refluxed flag.

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Other

Retrieves reactions based upon conditions that do not fit into the other Reaction Data fields.

Click the Terms List link to go to a search aid where you can search for meaningful terms to add to your search. For example:

  • Column
  • Irradiation
  • Photochemical
  • Sunlight
  • Ultrasound

Remember that the product uses an implicit AND operator when you enter two or more adjacent chemical terms in the same field.

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Pressure (Atm)

Select a relational operator from the menu, and then enter a single value in Atm. For example:

  • >500
  • <1000
  • Between 50 AND 75

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Time (Hrs)

Select a relational operator from the menu, and then enter a single value in hours. For example:

  • <10
  • >2
  • Between 5 AND 10

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Temperature (C)

Select a relational operator from the menu, and then enter a single value in Celsius. For example:

  • <0
  • >30
  • Between 5 AND 10

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Product Yield

Retrieves records based on the product yield as expressed as a percentage. Select a relational operator from the menu, and then enter a single value in percent. For example:

  • >80
  • <80

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Reaction Keyphrases

Keyphrases identify:

  • General reaction classes
  • Named reactions
  • New catalysts and reagents
  • Total syntheses

Click the Keyphrase List link to go to a search aid where you can search for meaningful keyphrases to add to your search. For example:

  • Asymmetric synthesis OR Asymmetric Induction
  • Diels-Alder OR Retro-Diels-Alder
  • Oligosaccharides
  • Ring Closure
  • Solid Phase Synthesis

Remember that the product uses an implicit AND operator when you enter two or more adjacent chemical terms in the same field. For example:

  • Asymmetric synthesis is the same as entering Asymmetric AND Induction in the Reaction Keyphrases field.

Keep in mind that you can enter hyphenated terms with or without the hyphens. The product returns the same number of results. For example:

  • Retro-Diels-Alder is the same as entering Retro Diels Alder in the Reaction Keyphrases field.

Enclose terms with quotation marks ( " " ) if you want to search for exact chemical phrases.

Important Note: See Selecting Multiple Terms from the Reaction Keyphrases List for guidelines on how to search this field using terms selected from the search aid.

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Reaction Comments

Comments can include advantages, limitations, warnings, and other qualitative data. The system searches the Reaction Comments field within a record. For example:

  • Explosive
  • Commercial* AND Cheap
  • Simple AND Efficient

Remember that the product uses an implicit AND operator when you enter two or more adjacent chemical terms in the same field.

Keep in mind that you can enter hyphenated terms with or without the hyphen. The product returns the same number of results.

Enclose terms with quotation marks ( " " ) if you want to search for exact chemical phrases.

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Truncation

You can use right-hand truncation in all text fields.

Enter at least one character in a field followed by the:

  • Asterisk (*)
  • Question mark (?)

For more detailed information, see Wildcards.

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Boolean Operators

You can use the following Boolean Operators in all text fields:

  • AND
  • OR
  • NOT

Note: Structure Search does not support the use of the SAME and NEAR Booleans.

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Relational Operators

You can use the following numerical operators in all numerical fields.

  • < (less than)
  • > (greater than)
  • ≤ (less than or equal to)
  • ≥ (greater than or equal to)
  • = (equal to)
  • Between

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Between Operator

Selecting the Between option from any of the numerical fields brings up a new field in which you can specify a second value. The system will return results in which the value is between the value that you enter in the Between field and the value that you enter in the And field.

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