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EVODEX.1-R6829

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:6][C@@:4]([C:3]([C:2]([C:1]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([C:5]([H:9])([H:10])[H:11])[C:7]#[N:8]>>[C:1]([C:2]([C:3]([C:4]([C:5]([H:9])([H:10])[H:11])=[O:6])([H:13])[H:14])([H:15])[H:16])([H:17])([H:18])[H:19].[H][C:7]#[N:8]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
281076 cyanide + pentan-2-one = (2R)-2-hydroxy-2-methylpentanenitrile False Phlebodium aureum nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6223

[H][O:6][C@@:4](C#N)([C:3]([C:2]([C:1]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])[C:5]([H:9])([H:10])[H:11]>>[C:1]([C:2]([C:3]([C:4]([C:5]([H:9])([H:10])[H:11])=[O:6])([H:13])[H:14])([H:15])[H:16])([H:17])([H:18])[H:19]

[H][O:6][C@@:4](C#N)([C:3]([C:2]([C:1]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])[C:5]([H:9])([H:10])[H:11]>>[C:1]([C:2]([C:3]([C:4]([C:5]([H:9])([H:10])[H:11])=[O:6])([H:13])[H:14])([H:15])[H:16])([H:17])([H:18])[H:19]