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EVODEX.1-R4968

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
201321 4-mercapto-1-butanol + methyl acrylate = 4-mercaptobutyl acrylic ester + methanol False Humicola insolens nan 3.1.1.74

Derived Partial Reactions

EVODEX.1-P4128

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

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