EVODEX Logo

EVODEX.1-R1908

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
109716 2-nitrobenzaldehyde + pyruvate = (R)-1-hydroxy-1-(2-nitrophenyl)propan-2-one + CO2 False Azoarcus sp. nan 2.2.1.6

Derived Partial Reactions

EVODEX.1-P1395

[H]OC(=O)[C:2]([C:1]([H:19])([H:20])[H:21])=[O:3].[O:7]=[C:8]([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[N+:15](=[O:16])[O-:17])[H:26]>>[H][O:7][C@@:8]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[N+:15](=[O:16])[O-:17])[H:26]

[H]OC(=O)[C:2]([C:1]([H:19])([H:20])[H:21])=[O:3].[O:7]=[C:8]([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[N+:15](=[O:16])[O-:17])[H:26]>>[H][O:7][C@@:8]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[N+:15](=[O:16])[O-:17])[H:26]