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EVODEX.1-R7042

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
290281 (S)-3-benzoyloxypentanedinitrile + H2O = 3-amino-1-(2-amino-2-oxoethyl)-3-oxopropyl benzoate {r} False Rhodococcus sp. nan 4.2.1.84

Derived Partial Reactions

EVODEX.1-P6457

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

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