EVODEX Logo

EVODEX.1-R4969

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1](=[C:2]([C:3]([H:14])([H:15])[H:16])[C:4](=[O:5])[O:6][C:7]([H:17])([H:18])[H:19])([H:20])[H:21].[H][O:8][C:9]([C:10]([C:11]([C:12]([S:13][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30]>>[C:1](=[C:2]([C:3]([H:14])([H:15])[H:16])[C:4](=[O:5])[O:8][C:9]([C:10]([C:11]([C:12]([S:13][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:20])[H:21].[H][O:6][C:7]([H:17])([H:18])[H:19]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
201322 4-mercapto-1-butanol + methyl methacrylate = 4-mercaptobutyl methacrylic ester + methanol False Humicola insolens nan 3.1.1.74

Derived Partial Reactions

EVODEX.1-P4129

[C:1](=[C:2]([C:3]([H:14])([H:15])[H:16])[C:4](=[O:5])[O:6][C:7]([H:17])([H:18])[H:19])([H:20])[H:21].[H][O:8][C:9]([C:10]([C:11]([C:12]([S:13][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30]>>[C:1](=[C:2]([C:3]([H:14])([H:15])[H:16])[C:4](=[O:5])[O:8][C:9]([C:10]([C:11]([C:12]([S:13][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:20])[H:21].[H][O:6][C:7]([H:17])([H:18])[H:19]

[C:1](=[C:2]([C:3]([H:14])([H:15])[H:16])[C:4](=[O:5])[O:6][C:7]([H:17])([H:18])[H:19])([H:20])[H:21].[H][O:8][C:9]([C:10]([C:11]([C:12]([S:13][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30]>>[C:1](=[C:2]([C:3]([H:14])([H:15])[H:16])[C:4](=[O:5])[O:8][C:9]([C:10]([C:11]([C:12]([S:13][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:20])[H:21].[H][O:6][C:7]([H:17])([H:18])[H:19]