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EVODEX.1-R6834

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
281099 HCN + 2,5-dimethoxybenzaldehyde = (R)-2-hydroxy-2-(2,5-dimethoxyphenyl)acetonitrile False Prunus mume nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6228

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

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