SMIRKS
[H][C:1]#[N:2].[O:3]=[C:4]([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]>>[H][O:3][C@@:4]([C:1]#[N:2])([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]
Source Database Data
Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
---|---|---|---|---|---|---|
281127 | HCN + 3-nitrobenzaldehyde = (R)-2-hydroxy-2-(3-nitrophenyl)acetonitrile | False | Prunus mume | nan | 4.1.2.10 |
Derived Partial Reactions
EVODEX.1-P6236
[O:3]=[C:4]([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]>>[H][O:3][C@@:4](C#N)([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:18])[H:19]