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EVODEX.1-R4953

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:5][C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22].[C:6]([O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([O:16][H:32]):[C:17]([O:18][H:33]):[C:19]:1[H:34])[H:35])[H:36])([H:37])([H:38])[H:39]>>[C:1]([C:2]([C:3]([C:4]([O:5][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([O:16][H:32]):[C:17]([O:18][H:33]):[C:19]:1[H:34])[H:35])[H:36])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:7][C:6]([H:37])([H:38])[H:39]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
200836 methyl caffeate + 1-butanol = methanol + butyl caffeate False Fusarium oxysporum nan 3.1.1.73

Derived Partial Reactions

EVODEX.1-P4113

[H][O:5][C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22].[C:6]([O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([O:16][H:32]):[C:17]([O:18][H:33]):[C:19]:1[H:34])[H:35])[H:36])([H:37])([H:38])[H:39]>>[C:1]([C:2]([C:3]([C:4]([O:5][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([O:16][H:32]):[C:17]([O:18][H:33]):[C:19]:1[H:34])[H:35])[H:36])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:7][C:6]([H:37])([H:38])[H:39]

[H][O:5][C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22].[C:6]([O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([O:16][H:32]):[C:17]([O:18][H:33]):[C:19]:1[H:34])[H:35])[H:36])([H:37])([H:38])[H:39]>>[C:1]([C:2]([C:3]([C:4]([O:5][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([O:16][H:32]):[C:17]([O:18][H:33]):[C:19]:1[H:34])[H:35])[H:36])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:7][C:6]([H:37])([H:38])[H:39]