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EVODEX.1-R4885

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]1:[C:12]([H:24]):[C:13]([C:14](=[O:15])[O:16][H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[N+:20](=[O:21])[O-:22])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:23][H:43]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:23][H:43])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:10][C:11]1:[C:12]([H:24]):[C:13]([C:14](=[O:15])[O:16][H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[N+:20](=[O:21])[O-:22]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
198203 4-nitro-3-(octanoyloxy)benzoic acid + H2O = 3-hydroxy-4-nitrobenzoate + octanoate False Bothrops jararacussu nan 3.1.1.4

Derived Partial Reactions

EVODEX.1-P4042

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:10][C:11]1:[C:12]([H:24]):[C:13]([C:14](=[O:15])[O:16][H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[N+:20](=[O:21])[O-:22]>>[H][O:10][C:11]1:[C:12]([H:24]):[C:13]([C:14](=[O:15])[O:16][H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[N+:20](=[O:21])[O-:22]

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:10][C:11]1:[C:12]([H:24]):[C:13]([C:14](=[O:15])[O:16][H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[N+:20](=[O:21])[O-:22]>>[H][O:10][C:11]1:[C:12]([H:24]):[C:13]([C:14](=[O:15])[O:16][H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[N+:20](=[O:21])[O-:22]