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EVODEX.1-R3321

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]([N:25]([H:47])[H:48]):[C:26]:1[H:49])[H:50]>>[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]([N:25]([H:47])[H:48]):[C:26]:2[H:49])[H:50])([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
148251 thiamine + m-phenylene diamine = 4-methyl-5-(2-hydroxyethyl)-thiazole + [(4-amino-2-methylpyrimidin-5-yl)methyl]-N-(3-aminophenyl)amine False Marsilea drummondii nan 2.5.1.2

Derived Partial Reactions

EVODEX.1-P2584

[H][N:19]([C:20]1:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([N:25]([H:47])[H:48]):[C:26]:1[H:49])[H:50]>>[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]([N:25]([H:47])[H:48]):[C:26]:2[H:49])[H:50]):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]([N:25]([H:47])[H:48]):[C:26]:1[H:49])[H:50]>>[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]([N:25]([H:47])[H:48]):[C:26]:2[H:49])[H:50]):C([H]):N:C(C([H])([H])[H]):N:1[H]