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EVODEX.1-R6911

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283103 2-chlorobenzaldehyde + pyruvate = (3E)-4-(2-chlorophenyl)-2-oxobut-3-enoate + H2O False Pseudomonas putida Q51947 swissprot 4.1.2.45

Derived Partial Reactions

EVODEX.1-P6309

[O:7]=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24]>>[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24].[H][O:7][H]

[O:7]=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24]>>[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24].[H][O:7][H]