Meet RxnPatter

RxnPatter: A Web Server for Extracting Chemical Transformation Patterns from Biochemical Reactions.


Please input a reaction using reaction smiles string (smirks) (Please refer to DayLight Documents).


Reaction input (JME)

A Simple Reaction Smirks Example:
CC=C.CCO>>CCC.CC=O

A Real Reaction Smirks Example:
CC[C@@H](C(=O)O)O.O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O>>CCC(=O)C(=O)O.O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O

Note:
The input reaction must be balanced such as CC=C.CCO>>CCC.CC=O
Please refer to Balanced Reactions

RxnPatter FAQ: RxnPatter FAQ.
RxnPatter FAQ
Tools: (1) Reaction input.

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