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EVODEX.1-R6949

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][C:1]#[N:2]>>[H][O:9][C@:8]([C:1]#[N:2])([C:7]([C:6]([C:5]([C:4]([C:3]([H:25])([H:26])[H:27])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283400 cyanide + octan-3-one = (2S)-2-ethyl-2-hydroxyheptanenitrile False Manihot esculenta P52705 uniprot 4.1.2.47

Derived Partial Reactions

EVODEX.1-P6350

[C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]>>[H][O:9][C@:8](C#N)([C:7]([C:6]([C:5]([C:4]([C:3]([H:25])([H:26])[H:27])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16]

[C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]>>[H][O:9][C@:8](C#N)([C:7]([C:6]([C:5]([C:4]([C:3]([H:25])([H:26])[H:27])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16]