Acetonitrile → (+/-)-3-(N-methyl-4-(1-(6-(4-phenyl-1H-pyrazol-1-yl)pyridin-3-ylamino)butyl)benzamido)propanoic acid
Reaction equation
[CH3:1][N:2]([C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH2:12][CH3:13])[NH:14][c:15]2[cH:16][n:17][c:18](-[n:21]3[n:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:25]3)[cH:19][cH:20]2)[cH:8][cH:9]1)=[O:32])[CH2:33][CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41].[CH3:49][C:50]#[N:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[CH3:1][N:2]([C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH2:12][CH3:13])[NH:14][c:15]2[cH:16][n:17][c:18](-[n:21]3[n:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:25]3)[cH:19][cH:20]2)[cH:8][cH:9]1)=[O:32])[CH2:33][CH2:34][C:35](=[O:36])[OH:37]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-1abf872aa9754c738218721915261b20
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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