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EVODEX.1-R6943

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:11][C:10]([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])[H:21])([C:12]#[N:13])[H:20]>>[C:1]([C:2]([C:3]([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])([C:10](=[O:11])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][C:12]#[N:13]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283318 HCN + rac-2-phenylbutyraldehyde = 2-hydroxy-3-phenylpentanenitrile False Manihot esculenta nan 4.1.2.47

Derived Partial Reactions

EVODEX.1-P6344

[H][O:11][C:10](C#N)([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])[H:21])[H:20]>>[C:1]([C:2]([C:3]([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])([C:10](=[O:11])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26]

[H][O:11][C:10](C#N)([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])[H:21])[H:20]>>[C:1]([C:2]([C:3]([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])([C:10](=[O:11])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26]