EVODEX Logo

EVODEX.1-R3226

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
139894 UDP-glucose + 2,5-dibromoaniline = UDP + N-(2,5-dibromophenyl)-glucosylamine False Glycine max nan 2.4.1.71

Derived Partial Reactions

EVODEX.1-P2478

[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66]>>[N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])([C:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66])[H:49]

[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66]>>[N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])([C:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66])[H:49]

EVODEX.1-P2479

[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49]>>[H]OC([H])([H])[C@@]1([H])OC([H])([N:1]([C:2]2:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:2[Br:9])[H:49])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49]>>[H]OC([H])([H])[C@@]1([H])OC([H])([N:1]([C:2]2:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:2[Br:9])[H:49])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]