Rule bt0068

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Pattern 3564
N-substituted Urea derivative -> Carbamate + primary Amine
N,N-disubstituted Urea derivative -> N-substituted Carbamate + primary Amine


Aerobic Likelihood:              Neutral

EAWAG-BBD Reaction(s):
Benomyl -----> Carbendazim + N-Butylcarbamate (reacID# r1772)
(3,5-Dichlorophenylurea)acetate -----> 3,5-Dichloroaniline + N-Carboxyglycine (reacID# r0708)
Didemethylisoproturon -----> 4-Isopropylaniline + Carbamate (reacID# r0898)
4'-(2-Hydroxyisopropyl)phenylurea -----> 4'-(2-Hydroxyisopropyl)phenylaniline + Carbamate (reacID# r0895)
Iprodione -----> 3,5-Dichlorophenylcarboximide + N-Isopropylcarbamate (reacID# r0706)

Comments:
Rule will only act on linear urea derivatives and will cleave between the carbonyl and the nitrogen with the most positive partial charge.

Similarities:
bt0027: primary Amide --> Carboxylate
bt0067: secondary Amide --> Carboxylate + primary Amine
bt0243: N-substituted Amide --> Amide + Aldehyde or Ketone
bt0318: Carbamyl --> Amine + Carbonate
bt0402: cyclic Urea derivative --> 1-Aminocarbamate derivative
bt0430: tertiary Amide --> Carboxylate + secondary Amine

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Page Author(s): Michael Turnbull
July 06, 2010

This is the EAWAG-BBD biotransformation rule, ruleID# bt0068.
It was generated on November 23, 2024 2:05:45 AM CST. 

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