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EVODEX.1-R6904

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:2]=[C:3]([O:4][H:18])[C:5](=[O:6])[C:7](=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22])[H:23])[H:24].[H][O:1][H]>>[O:1]=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22])[H:23].[H][C:7]([H])([C:5]([C:3](=[O:2])[O:4][H:18])=[O:6])[H:24]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283071 4-nitrobenzaldehyde + pyruvate = 4-(4-nitrophenyl)-2-oxobut-3-enoate + H2O False Pseudomonas fluorescens nan 4.1.2.45

Derived Partial Reactions

EVODEX.1-P6301

[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22])[H:23]>>O=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22])[H:23]

[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22])[H:23]>>O=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22])[H:23]