Rule bt0353 Patterns

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Aerobic Likelihood:

 Very likely   Likely   Neutral   Unlikely   Very unlikely   Unknown  

Pattern 4167
Pattern 4312
mono-carbon-substituted Benzenoid -> 1-substituted-2,3-dihydroxy Benzenoid
mono-halo-substituted Benzenoid -> 1-halo-2,3-dihydroxy Benzenoid
mono-pseudohalo-substituted Benzenoid -> 1-pseudohalo-2,3-dihydroxy Benzenoid


Comments:
This rule handles the 2,3-dioxygenation of mono-substituted aromatics (bt0369) and subsequent oxidation to form the catechol derivative (bt0255). The substituents are based on "Reactions of Toluene Dioxygenase" and Hudlicky T, Gonzalez D, Gibson DT (1999) Aldrichimica Acta 32(2): 35-62. The aromatic hydrocarbon dioxygenases produce an activated dioxygen species that is thought to be sufficiently reactive to potentially functionalize most, if not all, aromatic ring carbon atoms (Lipscomb and Hoffman, 2005).


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Page Author(s): Michael Turnbull
February 25, 2010

This is the EAWAG-BBD biotransformation rule, ruleID# bt0353.
It was generated on March 2, 2024 9:30:48 AM CST.

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