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Home   •   Support and Training  •  SciFinder  •  Strategies  •  Controlling Ring Formation
Controlling Ring Formation
Introduction

This topic identifies techniques for controlling ring formation in substructure search results.

Definition

Substructure searching retrieves matches where rings or chains of a structural skeleton are embedded within a larger ring system.

Default retrieval possibilities for rings

By default, a substructure search on Ring Formation 1retrieves the following:

Structure matches

Example

Exactly as you drew it
Ring Formation 1
Substituted at open positions
Ring Formation 2
With the ring side-fused to another ring
Ring Formation 4
With the ring spiro-connected to another ring
Ring Formation 6

 

 

 

 

 

 

 

 

 

 

 

 

 

Default retrieval possibilities for chains

By default, a substructure search on Ring Formation 8retrieves the following:

Structure matches

Example

Exactly as you drew it (with assumed hydrogens)
Ring Formation 9
Substituted at open positions
Ring Formation 11
With the chain bonds forming rings
Ring Formation 13
With the chain atoms part of a spiro ring
Ring Formation 15

 

 

 

 

 

 

 

 

 

 

 

 

Controlling ring formation

The Lock Rings tool  wlockring.jpg controls ring formation.

If the Lock Rings tool is applied to a

Structure matches with the following attributes are NOT retrieved
Ring system Side- or spiro-fused rings on the ring system
Chain Rings formed from bonds in the chain

 

 

 

 

 

Note

The Lock Rings tool does not prevent substitution at open positions.

Tools and structure drawing techniques are available to control substitution.

Updated: 10/5/2009 9:41:22 AM
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