EVODEX Logo

EVODEX.1-R6945

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283375 cyanide + 1-phenylpropan-2-one = (2S)-2-hydroxy-2-methyl-3-phenylpropanenitrile False Manihot esculenta P52705 uniprot 4.1.2.47

Derived Partial Reactions

EVODEX.1-P6346

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

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