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SMARTS for Reaction Patterns
What are SMARTS string representations for reaction patterns?
✍: FYIcenter.com
SMARTS is an extension of SMILES to represent molecular patterns.
But it can represent chemical reaction patterns using the following format:
R1.R2....>A1.A2....>P1.P2.... Where: R1, R2, ... are SMARTS strings of reactants A1, A2, ... are SMARTS strings of agents P1, P2, ... are SMARTS strings of products Example: [#6]1-[#6]=[#6]-[#6]=[!#1]-[#6]=1>>[#6]1-[#6]=[#6]-[#6]=[#8]-[#6]=1
For more information, see "SMARTS - A Language for Describing Molecular Patterns" at daylight.com.
⇒ SMIRKS for Generic Reactions
⇑ Reaction Presentations and File Formats
⇑⇑ Reaction FAQ
2023-12-29, 966🔥, 0💬
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