4-{4-[5-(4-Iodo-3-methyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-dimethyl-4-oxo-butyric acid → 4-{4-[5-(3-Iodo-4-methyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-2,2-dimethyl-4-oxo-butyric acid
Reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][c:24]([I:29])[c:25]([CH3:28])[cH:26][cH:27]3)=[O:30])[cH:18][cH:19]2)[CH2:12][CH2:13]1)[CH3:7].[I:31][c:32]1[cH:33][cH:34][c:35]([NH:36][C:37]([c:38]2[cH:39][cH:40][c:41]([N:42]3[CH2:43][CH2:44][N:45]([C:46](=[O:47])[CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH3:59])[CH3:60])[CH2:48][CH2:49]3)[n:50][cH:51]2)=[O:52])[cH:53][c:61]1[CH3:62]>>[O:5]=[C:6]([N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][c:24]([I:29])[c:25]([CH3:28])[cH:26][cH:27]3)=[O:30])[cH:18][cH:19]2)[CH2:12][CH2:13]1)[CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH3:59])[CH3:60]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-9e256b9bf4634882a5319197dd9ef675
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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