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EVODEX.1-R7181

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:3]1([H:21])[C:2](=[O:1])[C:20]2:[C:13](:[C:14]([H:28]):[C:15]([O:16][H:29]):[C:17]([H:30]):[C:18]:2[O:19][H:31])[O:12][C@:4]1([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[F:11])[H:27]>>[H][O:12][C:13]1:[C:14]([H:28]):[C:15]([O:16][H:29]):[C:17]([H:30]):[C:18]([O:19][H:31]):[C:20]:1[C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[F:11])[H:27])[H:21]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
310709 (2E)-3-(2-fluorophenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one = (2R)-2-(2-fluorophenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one False Scutellaria baicalensis nan 5.5.1.6

Derived Partial Reactions

EVODEX.1-P6600

[H][C:3]1([H:21])[C:2](=[O:1])[C:20]2:[C:13](:[C:14]([H:28]):[C:15]([O:16][H:29]):[C:17]([H:30]):[C:18]:2[O:19][H:31])[O:12][C@:4]1([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[F:11])[H:27]>>[H][O:12][C:13]1:[C:14]([H:28]):[C:15]([O:16][H:29]):[C:17]([H:30]):[C:18]([O:19][H:31]):[C:20]:1[C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[F:11])[H:27])[H:21]

[H][C:3]1([H:21])[C:2](=[O:1])[C:20]2:[C:13](:[C:14]([H:28]):[C:15]([O:16][H:29]):[C:17]([H:30]):[C:18]:2[O:19][H:31])[O:12][C@:4]1([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[F:11])[H:27]>>[H][O:12][C:13]1:[C:14]([H:28]):[C:15]([O:16][H:29]):[C:17]([H:30]):[C:18]([O:19][H:31]):[C:20]:1[C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[F:11])[H:27])[H:21]