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EVODEX.1-R6828

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:3]([C:4](=[O:5])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:1]#[N:2]>>[H][O:5][C:4]([C:1]#[N:2])([C:3]([H:23])([H:24])[H:25])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
281035 cyanide + 4-phenylbutan-2-one = 2-hydroxy-4-phenylbutyronitrile False Prunus turcomanica nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6222

[C:3]([C:4](=[O:5])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:1]#[N:2]>>[H][O:5][C:4]([C:1]#[N:2])([C:3]([H:23])([H:24])[H:25])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22]

[C:3]([C:4](=[O:5])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:1]#[N:2]>>[H][O:5][C:4]([C:1]#[N:2])([C:3]([H:23])([H:24])[H:25])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22]