Methanol → (+/-)-N-[4-(1-{[6-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl]amino}butyl)benzoyl]-beta-alanine
Reaction equation
[C:52](#[N:53])[CH3:54].[CH3:50][OH:51].[CH:1]1([c:4]2[cH:5][n:6][n:7](-[c:9]3[cH:10][cH:11][c:12]([NH:15][CH:16]([CH2:17][CH2:18][CH3:19])[c:20]4[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:34][cH:35]4)[cH:13][n:14]3)[cH:8]2)[CH2:2][CH2:3]1.[Li+:41].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:42].[OH2:55].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH:1]1([c:4]2[cH:5][n:6][n:7](-[c:9]3[cH:10][cH:11][c:12]([NH:15][CH:16]([CH2:17][CH2:18][CH3:19])[c:20]4[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][CH2:27][CH2:28][C:29](=[O:30])[OH:31])[cH:34][cH:35]4)[cH:13][n:14]3)[cH:8]2)[CH2:2][CH2:3]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-ce9e38b45eb44d05a5a2bb4f3690b9da
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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