SMIRKS
[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]