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EVODEX.1-R6940

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:6][C@:5]([C:4]([N+:2](=[O:1])[O-:3])([H:22])[H:23])([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:19]):[C:15]:1[H:20])[H:21]>>[C:5](=[O:6])([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:19]):[C:15]:1[H:20])[H:21].[H][C:4]([N+:2](=[O:1])[O-:3])([H:22])[H:23]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283205 (1S)-2-nitro-1-(4-nitrophenyl)ethanol = 4-nitrobenzaldehyde + CH3NO2 {r} False Hevea brasiliensis nan 4.1.2.47

Derived Partial Reactions

EVODEX.1-P6341

[H][O:6][C@:5]([C:4]([N+:2](=[O:1])[O-:3])([H:22])[H:23])([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:19]):[C:15]:1[H:20])[H:21]>>[C:5](=[O:6])([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:19]):[C:15]:1[H:20])[H:21].[H][C:4]([N+:2](=[O:1])[O-:3])([H:22])[H:23]

[H][O:6][C@:5]([C:4]([N+:2](=[O:1])[O-:3])([H:22])[H:23])([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:19]):[C:15]:1[H:20])[H:21]>>[C:5](=[O:6])([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:19]):[C:15]:1[H:20])[H:21].[H][C:4]([N+:2](=[O:1])[O-:3])([H:22])[H:23]