Rule bt0065

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Pattern 4171
1-Amino-2-unsubstituted aromatic -> vic-Dihydroxyaromatic + Amine
1-Amide-2-unsubstituted aromatic -> vic-Dihydroxyaromatic + Amide

Aerobic Likelihood:              Neutral

EAWAG-BBD Reaction(s):
Acetanilide -----> Catechol (reacID# r0723)
2-Aminobenzenesulfonate -----> 3-Sulfocatechol (reacID# r0218)
4-Aminobenzenesulfonate -----> 4-Sulfocatechol (reacID# r0580)
2-Aminobenzoate -----> 2,3-Dihydroxybenzoate (reacID# r0578)
4-Aminobenzoate -----> 3,4-Dihydroxybenzoate (reacID# r0566)
Aniline -----> Catechol (reacID# r1047)
2-Chloro-N-isopropylacetanilide -----> Catechol + 2-Chloro-N-isopropylacetamide (reacID# r0724)
4-Chloroaniline -----> 4-Chlorocatechol (reacID# r0820)
N-Isopropylaniline -----> Catechol (reacID# r0721)

Also handles fused rings. All fused aromatic ring products with hydroxyl at 2,3 position are excluded.

bt0005: vic-unsubstituted Aromatic --> vic-Dihydroxyaromatic
bt0255: vic-Dihydrodihydroxyaromatic --> vic-Dihydroxyaromatic
bt0374: polynuclear Aromatic system --> 1,2-dioxygenation and cleavage at connecting atom

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Page Author(s): Bo Kyeng Hou, Indraneel Shikhare, Rachael Long and Michael Turnbull
March 31, 2010

This is the EAWAG-BBD biotransformation rule, ruleID# bt0065.
It was generated on July 18, 2024 6:46:19 AM CDT.

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