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EVODEX.1-R4874

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
197765 terephthalate + ethanol = terephthalic acid monoethyl ester + terephthalic acid diethyl ester + H2O False Geobacillus thermocatenulatus nan 3.1.1.3

Derived Partial Reactions

EVODEX.1-P4031

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

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