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EVODEX.1-R6819

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:1]#[N:2].[O:3]=[C:4]([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([F:9]):[C:10]([H:15]):[C:11]:1[H:16])[H:17]>>[H][O:3][C@@:4]([C:1]#[N:2])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([F:9]):[C:10]([H:15]):[C:11]:1[H:16])[H:17]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
280853 cyanide + 4-fluorobenzaldehyde = (2R)-(4-fluorophenyl)(hydroxy)ethanenitrile False Arabidopsis thaliana Q9LFT6 swissprot 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6213

[H][C:1]#[N:2].[O:3]=[C:4]([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([F:9]):[C:10]([H:15]):[C:11]:1[H:16])[H:17]>>[H][O:3][C@@:4]([C:1]#[N:2])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([F:9]):[C:10]([H:15]):[C:11]:1[H:16])[H:17]

[H][C:1]#[N:2].[O:3]=[C:4]([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([F:9]):[C:10]([H:15]):[C:11]:1[H:16])[H:17]>>[H][O:3][C@@:4]([C:1]#[N:2])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([F:9]):[C:10]([H:15]):[C:11]:1[H:16])[H:17]