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EVODEX.1-R6908

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([N:2]1:[C:3]([H:19]):[C:4]([C:5](=[C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:20])[H:21])[H:22]):[C:12]2:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]:1:2)([H:27])([H:28])[H:29].[H][O:18][H]>>[C:1]([N:2]1:[C:3]([H:19]):[C:4]([C:5](=[O:18])[H:22]):[C:12]2:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]:1:2)([H:27])([H:28])[H:29].[H][C:6]([H])([C:7](=[O:8])[C:9](=[O:10])[O:11][H:20])[H:21]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283099 1-methylindole-3-carboxaldehyde + pyruvate = (3E)-4-(1-methyl-1H-indol-3-yl)-2-oxobut-3-enoate + H2O False Pseudomonas putida Q51947 swissprot 4.1.2.45

Derived Partial Reactions

EVODEX.1-P6306

[H]OC(=O)C(=O)C([H])=[C:5]([C:4]1:[C:3]([H:19]):[N:2]([C:1]([H:27])([H:28])[H:29]):[C:17]2:[C:12]:1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]:2[H:26])[H:22]>>O=[C:5]([C:4]1:[C:3]([H:19]):[N:2]([C:1]([H:27])([H:28])[H:29]):[C:17]2:[C:12]:1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]:2[H:26])[H:22]

[H]OC(=O)C(=O)C([H])=[C:5]([C:4]1:[C:3]([H:19]):[N:2]([C:1]([H:27])([H:28])[H:29]):[C:17]2:[C:12]:1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]:2[H:26])[H:22]>>O=[C:5]([C:4]1:[C:3]([H:19]):[N:2]([C:1]([H:27])([H:28])[H:29]):[C:17]2:[C:12]:1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]:2[H:26])[H:22]