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EVODEX.1-R6933

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].[C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([C:12](=[O:13])[H:22]):[C:14]([H:23]):[C:15]:1[H:24])([H:25])([H:26])[H:27]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22])[H:17].[H][O:13][H]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283128 p-tolualdehyde + pyruvate = (3E)-4-(4-methylphenyl)-2-oxobut-3-enoate + H2O False Pseudomonas putida Q51947 swissprot 4.1.2.45

Derived Partial Reactions

EVODEX.1-P6336

[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].O=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22])[H:17]

[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].O=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22])[H:17]