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EVODEX.1-R4803

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][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:10][C:9](=[O:8])[C:11]1:[C:12]([H:35]):[C:13]([O:14][H:36]):[C:15]([O:16][H:37]):[C:17]([O:18][H:38]):[C:19]:1[H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:10][C:9](=[O:8])[C:11]1:[C:12]([H:35]):[C:13]([O:14][H:36]):[C:15]([O:16][H:37]):[C:17]([O:18][H:38]):[C:19]:1[H:39])([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:7][H:20]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
196087 gallate + 1-hexanol = 1-hexyl gallate + H2O {r} False Aspergillus niger nan 3.1.1.20

Derived Partial Reactions

EVODEX.1-P3952

[H]O[C:6]([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])([H:23])[H:24])([H:21])[H:22].[H][O:10][C:9](=[O:8])[C:11]1:[C:12]([H:35]):[C:13]([O:14][H:36]):[C:15]([O:16][H:37]):[C:17]([O:18][H:38]):[C:19]:1[H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:10][C:9](=[O:8])[C:11]1:[C:12]([H:35]):[C:13]([O:14][H:36]):[C:15]([O:16][H:37]):[C:17]([O:18][H:38]):[C:19]:1[H:39])([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[C:6]([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])([H:23])[H:24])([H:21])[H:22].[H][O:10][C:9](=[O:8])[C:11]1:[C:12]([H:35]):[C:13]([O:14][H:36]):[C:15]([O:16][H:37]):[C:17]([O:18][H:38]):[C:19]:1[H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:10][C:9](=[O:8])[C:11]1:[C:12]([H:35]):[C:13]([O:14][H:36]):[C:15]([O:16][H:37]):[C:17]([O:18][H:38]):[C:19]:1[H:39])([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]