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EVODEX.1-R4965

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:23]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][H:24])[H:25])[H:26]):[C:11]([H:27]):[C:12]([O:13][C:14]([H:28])([H:29])[H:30]):[C:15]:1[O:16][H:31])([H:32])([H:33])[H:34].[H][O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41]>>[C:1]([O:2][C:3]1:[C:4]([H:23]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41])[H:25])[H:26]):[C:11]([H:27]):[C:12]([O:13][C:14]([H:28])([H:29])[H:30]):[C:15]:1[O:16][H:31])([H:32])([H:33])[H:34].[H][O:10][H:24]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
201248 sinapic acid + glycerol = glycerol sinapate + H2O False Aspergillus niger O42807 swissprot 3.1.1.73

Derived Partial Reactions

EVODEX.1-P4124

[H][O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41]):C([H]):C:1OC([H])([H])[H]

[H][O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41]):C([H]):C:1OC([H])([H])[H]

EVODEX.1-P4125

[H]O[C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:23]):[C:3]([O:2][C:1]([H:32])([H:33])[H:34]):[C:15]([O:16][H:31]):[C:12]([O:13][C:14]([H:28])([H:29])[H:30]):[C:11]:1[H:27])[H:26])[H:25])=[O:9]>>[H]OC([H])([H])C([H])(O[H])C([H])([H])O[C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:23]):[C:3]([O:2][C:1]([H:32])([H:33])[H:34]):[C:15]([O:16][H:31]):[C:12]([O:13][C:14]([H:28])([H:29])[H:30]):[C:11]:1[H:27])[H:26])[H:25])=[O:9]

[H]O[C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:23]):[C:3]([O:2][C:1]([H:32])([H:33])[H:34]):[C:15]([O:16][H:31]):[C:12]([O:13][C:14]([H:28])([H:29])[H:30]):[C:11]:1[H:27])[H:26])[H:25])=[O:9]>>[H]OC([H])([H])C([H])(O[H])C([H])([H])O[C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:23]):[C:3]([O:2][C:1]([H:32])([H:33])[H:34]):[C:15]([O:16][H:31]):[C:12]([O:13][C:14]([H:28])([H:29])[H:30]):[C:11]:1[H:27])[H:26])[H:25])=[O:9]