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EVODEX.1-R6811

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
280781 2-methylbenzaldehyde + nitromethane = 1-(2-methylphenyl)-2-nitroethanol False Arabidopsis thaliana nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6205

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

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