SMIRKS
[H][O:7][C@@:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([C:8]#[N:9])[C:10]([C:11]([H:13])([H:14])[H:15])([H:16])[H:17]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:10]([C:11]([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:28].[H][C:8]#[N:9]
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-P6351
[H][O:7][C@:6](C#N)([C:5]([C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])[C:10]([C:11]([H:13])([H:14])[H:15])([H:16])[H:17]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:10]([C:11]([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:28]