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  3. EAWAG-BBD - 2025-04-29 19:23
  4. Rule
  5. bt0058-2811
bt0058-2811
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aliphatic Nitroester > Hydroxyaliphatic + Nitrite

Image Representation

SMIRKS Representation

[#6:3]-[#8:2]-[#7+](-[#8-])=O>>[#6:3]-[#8:2]

Reactant SMARTS

[#6:3]-[#8:2]-[#7+](-[#8-])=O

Reactant Filter SMARTS

None

Reactant SMARTS

[#6:3]-[#8:2]

Product Filter SMARTS

None

Included in Composite Rules

bt0058

Scenarios

Reactions

Eawag BBD reaction r0025 Eawag BBD reaction r0031 Eawag BBD reaction r0039 Eawag BBD reaction r0040 Eawag BBD reaction r0042 Eawag BBD reaction r0043 Eawag BBD reaction r0044 Eawag BBD reaction r0917 Eawag BBD reaction r0918

Pathways

Nitroglycerin Pentaerythritol tetranitrate

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How to cite enviPath

enviPath–The environmental contaminant biotransformation pathway resource. J Wicker, T Lorsbach, M Gütlein, E Schmid, D Latino, S Kramer, K Fenner. Nucleic Acids Research, gkv1229


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