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EVODEX.1-R7132

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
299275 (E/Z)-2-phenylpropionaldoxime = (E/Z)-2-phenylpropiononitrile + H2O False Rhodococcus sp. N-771 nan 4.8.1.2

Derived Partial Reactions

EVODEX.1-P6551

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

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