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EVODEX.1-R1910

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
109720 4-isopropylbenzaldehyde + pyruvate = (R)-1-hydroxy-1-(4-isopropylphenyl)propan-2-one + CO2 False Azoarcus sp. nan 2.2.1.6

Derived Partial Reactions

EVODEX.1-P1397

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

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

EVODEX.1-P1398

[C:7]([C:8]([C:9]([H:22])([H:23])[H:24])([C:10]1:[C:11]([H:25]):[C:12]([H:26]):[C:13]([C:14](=[O:15])[H:27]):[C:16]([H:28]):[C:17]:1[H:29])[H:30])([H:31])([H:32])[H:33]>>[H]C([H])([H])C(=O)[C@@:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])([O:15][H])[H:27]

[C:7]([C:8]([C:9]([H:22])([H:23])[H:24])([C:10]1:[C:11]([H:25]):[C:12]([H:26]):[C:13]([C:14](=[O:15])[H:27]):[C:16]([H:28]):[C:17]:1[H:29])[H:30])([H:31])([H:32])[H:33]>>[H]C([H])([H])C(=O)[C@@:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])([O:15][H])[H:27]