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EVODEX.1-R5903

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1](=[C:2]([N:3]([H:47])[H:48])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:1[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])([H:60])[H:61])[H:62])([C:28](=[O:29])[N:30]([C:31]1:[C:32]([H:63]):[C:33]([H:64]):[C:34]2:[C:35]([C:36]([F:37])([F:38])[F:39]):[C:40]([H:65]):[C:41](=[O:42]):[O:43]:[C:44]:2:[C:45]:1[H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76].[H][O:46][H:77]>>[H][N:30]([C:31]1:[C:32]([H:63]):[C:33]([H:64]):[C:34]2:[C:35]([C:36]([F:37])([F:38])[F:39]):[C:40]([H:65]):[C:41](=[O:42]):[O:43]:[C:44]:2:[C:45]:1[H:66])[H:67].[N:1](=[C:2]([N:3]([H:47])[H:48])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:1[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])([H:60])[H:61])[H:62])([C:28](=[O:29])[O:46][H:77])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
245596 N-benzyloxycarbonyl-Gly-Gly-Arg-7-amido-4-trifluoromethylcoumarin + H2O = N-benzyloxycarbonyl-Gly-Gly-Arg + 7-amino-4-trifluoromethylcoumarin False Rattus norvegicus nan 3.4.21.73

Derived Partial Reactions

EVODEX.1-P5133

[H]C1:C(N([H])[C:28]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:76])[N:3]([H:47])[H:48])[H:75])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]2:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:2[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])([H:60])[H:61])[H:62])[H:68])=[O:29]):C([H]):C2:O:C(=O):C([H]):C(C(F)(F)F):C:2:C:1[H].[H][O:46][H:77]>>[N:1](=[C:2]([N:3]([H:47])[H:48])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:1[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])([H:60])[H:61])[H:62])([C:28](=[O:29])[O:46][H:77])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76]

[H]C1:C(N([H])[C:28]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:76])[N:3]([H:47])[H:48])[H:75])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]2:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:2[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])([H:60])[H:61])[H:62])[H:68])=[O:29]):C([H]):C2:O:C(=O):C([H]):C(C(F)(F)F):C:2:C:1[H].[H][O:46][H:77]>>[N:1](=[C:2]([N:3]([H:47])[H:48])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:49]):[C:24]([H:50]):[C:25]([H:51]):[C:26]([H:52]):[C:27]:1[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])([H:60])[H:61])[H:62])([C:28](=[O:29])[O:46][H:77])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76]