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EVODEX.1-R3815

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]#[C:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:22])([H:23])[H:24])([H:25])[H:26].[H][C@:11]([N:10]([H:36])[H:37])([C:12]([C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:1[H:31])([H:32])[H:33])[C:19](=[O:20])[O:21][H:34]>>[H][C@:5]([C:4]([C:3]([C:2]#[N:1])([H:25])[H:26])([H:23])[H:24])([C:7](=[O:8])[O:9][H:22])[N:10]([H:36])[H:37].[O:6]=[C:11]([C:12]([C:13]1:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:1[H:31])([H:32])[H:33])[C:19](=[O:20])[O:21][H:34]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
157427 4-cyano-L-alpha-aminobutyrate + phenylpyruvate = 4-cyano-2-oxobutanoate + L-phenylalanine {r} False Rattus norvegicus nan 2.6.1.64

Derived Partial Reactions

EVODEX.1-P3167

O=[C:5]([C:4]([C:3]([C:2]#[N:1])([H:25])[H:26])([H:23])[H:24])[C:7](=[O:8])[O:9][H:22].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:10]([H:36])[H:37]>>[H][C@:5]([C:4]([C:3]([C:2]#[N:1])([H:25])[H:26])([H:23])[H:24])([C:7](=[O:8])[O:9][H:22])[N:10]([H:36])[H:37]

O=[C:5]([C:4]([C:3]([C:2]#[N:1])([H:25])[H:26])([H:23])[H:24])[C:7](=[O:8])[O:9][H:22].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:10]([H:36])[H:37]>>[H][C@:5]([C:4]([C:3]([C:2]#[N:1])([H:25])[H:26])([H:23])[H:24])([C:7](=[O:8])[O:9][H:22])[N:10]([H:36])[H:37]