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EVODEX.1-R6843

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
281134 HCN + 4-methyl-2-pentanone = (R)-2-hydroxy-2,4-dimethyl-pentanenitrile False Prunus mume nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6237

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

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