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EVODEX.1-R5236

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:38])[C@@:8]([O:9][C:10]2:[C:11]([H:39]):[C:12]([H:40]):[C:13]([Cl:14]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]:2[H:41])([H:42])[O:20][C@@:21]([C:22]([O:23][C:24]([C:25]([H:43])([H:44])[H:45])=[O:26])([H:46])[H:47])([H:48])[C@:27]([O:28][C:29]([C:30]([H:49])([H:50])[H:51])=[O:31])([H:52])[C@@:32]1([O:33][C:34]([C:35]([H:53])([H:54])[H:55])=[O:36])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][O:37][H:65]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:38])[C@@:8]([O:37][H:65])([H:42])[O:20][C@@:21]([C:22]([O:23][C:24]([C:25]([H:43])([H:44])[H:45])=[O:26])([H:46])[H:47])([H:48])[C@:27]([O:28][C:29]([C:30]([H:49])([H:50])[H:51])=[O:31])([H:52])[C@@:32]1([O:33][C:34]([C:35]([H:53])([H:54])[H:55])=[O:36])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][O:9][C:10]1:[C:11]([H:39]):[C:12]([H:40]):[C:13]([Cl:14]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]:1[H:41]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
220901 4-chloro-3-nitrophenyl 2-deoxy-2-amino-O3,O4,O6-triacetyl-N-butanoyl-beta-D-glucopyranoside + H2O = 2-deoxy-2-amino-O3,O4,O6-triacetyl-N-butanoyl-beta-D-glucopyranose + 4-chloro-3-nitrophenol False Homo sapiens nan 3.2.1.169

Derived Partial Reactions

EVODEX.1-P4398

[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(C([H])([H])OC(=O)C([H])([H])[H])O[C@@]1([H])[O:9][C:10]1:[C:11]([H:39]):[C:12]([H:40]):[C:13]([Cl:14]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]:1[H:41]>>[H][O:9][C:10]1:[C:11]([H:39]):[C:12]([H:40]):[C:13]([Cl:14]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]:1[H:41]

[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(C([H])([H])OC(=O)C([H])([H])[H])O[C@@]1([H])[O:9][C:10]1:[C:11]([H:39]):[C:12]([H:40]):[C:13]([Cl:14]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]:1[H:41]>>[H][O:9][C:10]1:[C:11]([H:39]):[C:12]([H:40]):[C:13]([Cl:14]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]:1[H:41]