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EVODEX.1-R6826

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]([N+:9](=[O:10])[O-:11]):[C:12]([H:17]):[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]([N+:9](=[O:10])[O-:11]):[C:12]([H:17]):[C:13]:1[H:18])[H:19]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
280929 4-nitrobenzaldehyde + HCN = (R)-4-nitromandelonitrile False Prunus dulcis nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6220

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

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