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EVODEX.1-R4802

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
196086 gallate + 1-butanol = 1-butyl gallate + H2O {r} False Aspergillus niger nan 3.1.1.20

Derived Partial Reactions

EVODEX.1-P3951

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

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