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EVODEX.1-R5535

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238032 L-Tyr-OMe + beta-Ala-OBzl + beta-Ala-OBzl = (beta-Ala)2-L-Tyr-OMe + benzyl alcohol False Streptomyces thermocyaneoviolaceus nan 3.4.11.24

Derived Partial Reactions

EVODEX.1-P4717

[H][N:19]([C:18]([C:17]([C:15]([N:14]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:6]([C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([O:11][H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])[H:39])[H:47])[H:46])=[O:16])([H:44])[H:45])([H:42])[H:43])[H:40]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:19]([C:18]([C:17]([C:15]([N:14]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:6]([C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([O:11][H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])[H:39])[H:47])[H:46])=[O:16])([H:44])[H:45])([H:42])[H:43])[H:40]

[H][N:19]([C:18]([C:17]([C:15]([N:14]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:6]([C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([O:11][H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])[H:39])[H:47])[H:46])=[O:16])([H:44])[H:45])([H:42])[H:43])[H:40]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:19]([C:18]([C:17]([C:15]([N:14]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:6]([C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([O:11][H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])[H:39])[H:47])[H:46])=[O:16])([H:44])[H:45])([H:42])[H:43])[H:40]