EVODEX Logo

EVODEX.1-R4784

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
194329 methyl (5-bromo-4-chloro-3-indolyl beta-D-glucopyranosid)uronate + H2O = 5-bromo-4-chloro-3-indolyl beta-D-glucopyranosiduronic acid + methanol False Trichoderma reesei G0RV93 uniprot 3.1.1.117

Derived Partial Reactions

EVODEX.1-P3930

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

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