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EVODEX.1-R6815

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
280784 3-methoxybenzaldehyde + nitromethane = 1-(3-methoxyphenyl)-2-nitroethanol False Arabidopsis thaliana nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6209

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

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