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EVODEX.1-R6880

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:12]=[C:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27].[H][C:2](=[O:1])[C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]([H:30]):[C:11]:1[H:31]>>[H][O:12][C@@:13]([C:2](=[O:1])[C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]([H:30]):[C:11]:1[H:31])([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
282677 2 4-nitrobenzaldehyde = (2R)-2-hydroxy-1,2-bis(4-nitrophenyl)ethan-1-one False Rhodococcus erythropolis nan 4.1.2.38

Derived Partial Reactions

EVODEX.1-P6276

[O:12]=[C:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27].[H][C:2](=[O:1])[C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]([H:30]):[C:11]:1[H:31]>>[H][O:12][C@@:13]([C:2](=[O:1])[C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]([H:30]):[C:11]:1[H:31])([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27]

[O:12]=[C:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27].[H][C:2](=[O:1])[C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]([H:30]):[C:11]:1[H:31]>>[H][O:12][C@@:13]([C:2](=[O:1])[C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]([H:30]):[C:11]:1[H:31])([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27]