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EVODEX.1-R3324

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
148256 thiamine + 2-hydroxyaniline = 4-methyl-5-(2-hydroxyethyl)-thiazole + [(4-amino-2-methylpyrimidin-5-yl)methyl]-N-(2-hydroxyphenyl)amine False Marsilea drummondii nan 2.5.1.2

Derived Partial Reactions

EVODEX.1-P2587

[H][N:19]([C:20]1:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([H:47]):[C:25]:1[O:26][H:48])[H:49]>>[H]N=C1:C(C([H])([H])[N:19]([C:20]2:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([H:47]):[C:25]:2[O:26][H:48])[H:49]):C([H]):N:C(C([H])([H])[H]):N:1[H]

[H][N:19]([C:20]1:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([H:47]):[C:25]:1[O:26][H:48])[H:49]>>[H]N=C1:C(C([H])([H])[N:19]([C:20]2:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([H:47]):[C:25]:2[O:26][H:48])[H:49]):C([H]):N:C(C([H])([H])[H]):N:1[H]