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Coping with Bullvalene's Rearrangements

Posted 7 months ago

Cope rearrangement of a bullvalene molecule

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POSTED BY: J. M.
3 Replies

"ReplaceSubstructure" does reorder atoms because it can handle arbitrary pattern replacements where the number of atoms can change.

For the bullvalene rearrangement the pattern and replacement have the same number and type of atoms and attached hydrogens, so the replacement amounts to just changing the bond list. Here's a custom function to change the bond list

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POSTED BY: Jason Biggs

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POSTED BY: Robert Nachbar
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