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EVODEX.1-R4870

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
197727 (R)-2-ethylhexanoic acid ethyl ester + H2O = (R)-2-ethylhexanoate + ethanol False Moesziomyces antarcticus nan 3.1.1.3

Derived Partial Reactions

EVODEX.1-P4026

[H]C([H])([H])C([H])([H])O[C:8]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])[H:24])=[O:9].[H][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C@@:5]([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])([C:8](=[O:9])[O:13][H:34])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33]

[H]C([H])([H])C([H])([H])O[C:8]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])[H:24])=[O:9].[H][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C@@:5]([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])([C:8](=[O:9])[O:13][H:34])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33]