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EVODEX.1-R6684

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
273642 5-bromo-3-chloro-DL-kynurenine + H2O = 5-bromo-3-chloroanthranilate + DL-alanine False Homo sapiens Q16719 uniprot 3.7.1.3

Derived Partial Reactions

EVODEX.1-P6057

[H]OC(=O)C([H])(N([H])[H])C([H])([H])[C:10]([C:9]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]:1[H:20])=[O:11].[H][O:18][H:29]>>[N:1]([C:2]1:[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]([H:20]):[C:9]:1[C:10](=[O:11])[O:18][H:29])([H:27])[H:28]

[H]OC(=O)C([H])(N([H])[H])C([H])([H])[C:10]([C:9]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]:1[H:20])=[O:11].[H][O:18][H:29]>>[N:1]([C:2]1:[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]([H:20]):[C:9]:1[C:10](=[O:11])[O:18][H:29])([H:27])[H:28]