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EVODEX.1-R4962

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:36]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C:11]([C@:12]2([H:37])[O:13][C@@:14]([O:15][C:16]3:[C:17]([H:38]):[N:18]([H:39]):[C:19]4:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:3:4)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]2([O:30][H:45])[H:46])([H:47])[H:48])[H:49])[H:50]):[C:31]([H:51]):[C:32]([H:52]):[C:33]:1[O:34][H:53])([H:54])([H:55])[H:56].[H][O:35][H:57]>>[C:1]([O:2][C:3]1:[C:4]([H:36]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:35][H:57])[H:49])[H:50]):[C:31]([H:51]):[C:32]([H:52]):[C:33]:1[O:34][H:53])([H:54])([H:55])[H:56].[H][O:10][C:11]([C@:12]1([H:37])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:38]):[N:18]([H:39]):[C:19]3:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:2:3)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]1([O:30][H:45])[H:46])([H:47])[H:48]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
201122 5-bromo-4-chloro-3-indolyl 5-O-feruloyl alpha-L-arabinofuranoside + H2O = ferulic acid + 5-bromo-4-chloro-1H-indol-3-yl-L-arabinofuranoside False Aspergillus niger nan 3.1.1.73

Derived Partial Reactions

EVODEX.1-P4121

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:10][C:11]([C@:12]2([H:37])[O:13][C@@:14]([O:15][C:16]3:[C:17]([H:38]):[N:18]([H:39]):[C:19]4:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:3:4)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]2([O:30][H:45])[H:46])([H:47])[H:48]):C([H]):C:1OC([H])([H])[H]>>[H][O:10][C:11]([C@:12]1([H:37])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:38]):[N:18]([H:39]):[C:19]3:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:2:3)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]1([O:30][H:45])[H:46])([H:47])[H:48]

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:10][C:11]([C@:12]2([H:37])[O:13][C@@:14]([O:15][C:16]3:[C:17]([H:38]):[N:18]([H:39]):[C:19]4:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:3:4)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]2([O:30][H:45])[H:46])([H:47])[H:48]):C([H]):C:1OC([H])([H])[H]>>[H][O:10][C:11]([C@:12]1([H:37])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:38]):[N:18]([H:39]):[C:19]3:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:2:3)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]1([O:30][H:45])[H:46])([H:47])[H:48]