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EVODEX.1-R3325

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]1:[N:3]:[C:4]([H:29]):[C:5]([C:6]([N+:7]2:[C:8]([H:30]):[S:9]:[C:10]([C:11]([C:12]([O:13][H:31])([H:32])[H:33])([H:34])[H:35]):[C:14]:2[C:15]([H:36])([H:37])[H:38])([H:39])[H:40]):[C:16]([N:17]([H:41])[H:42]):[N:18]:1)([H:43])([H:44])[H:45].[H][N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]>>[C:1]([C:2]1:[N:3]:[C:4]([H:29]):[C:5]([C:6]([N:19]([C:20]2:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:2[H:50])[H:51])([H:39])[H:40]):[C:16]([N:17]([H:41])[H:42]):[N:18]:1)([H:43])([H:44])[H:45].[HH].[N:7]1:[C:8]([H:30]):[S:9]:[C:10]([C:11]([C:12]([O:13][H:31])([H:32])[H:33])([H:34])[H:35]):[C:14]:1[C:15]([H:36])([H:37])[H:38]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
148261 thiamine + p-aminobenzoic acid = 4-methyl-5-(2-hydroxyethyl)-thiazole + 4-[[(4-amino-2-methylpyrimidin-5-yl)methyl]amino]benzoic acid False Marsilea drummondii nan 2.5.1.2

Derived Partial Reactions

EVODEX.1-P2588

[H][N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]>>[H]C1:N:C(C([H])([H])[H]):N:C(N([H])[H]):C:1C([H])([H])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]

[H][N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]>>[H]C1:N:C(C([H])([H])[H]):N:C(N([H])[H]):C:1C([H])([H])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]