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EVODEX.1-R6950

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[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]

[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]