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EVODEX.1-R6842

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:1]#[N:2].[O:3]=[C:4]([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]>>[H][O:3][C@@:4]([C:1]#[N:2])([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
281127 HCN + 3-nitrobenzaldehyde = (R)-2-hydroxy-2-(3-nitrophenyl)acetonitrile False Prunus mume nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6236

[O:3]=[C:4]([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]>>[H][O:3][C@@:4](C#N)([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]

[O:3]=[C:4]([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]>>[H][O:3][C@@:4](C#N)([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]