2-[4-[[3,5-Dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]-2-methylpropanoic acid → 3-[5-[(3-methyl-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]-2-pyridinyl]prop-2-enoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][N:14]2[CH2:15][CH:16]([CH3:30])[N:17]([C:20](=[O:21])[O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:18][CH2:19]2)[cH:11][n:12]1)=[O:31].[CH3:32][C:33]([O:34][C:35]([N:36]1[CH:37]([CH3:38])[CH2:39][N:40]([CH2:41][c:42]2[cH:43][cH:44][c:45]([C:46]([CH3:47])([CH3:48])[C:49]([OH:50])=[O:51])[cH:52][cH:53]2)[CH2:54][CH:55]1[CH3:56])=[O:57])([CH3:58])[CH3:59]>>[O:3]=[C:4]([CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][N:14]2[CH2:15][CH:16]([CH3:30])[N:17]([C:20](=[O:21])[O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:18][CH2:19]2)[cH:11][n:12]1)[OH:31]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-dd9ea8ebd4814774a895568b63b07df5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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