3-[3-(3-Methyl-isoxazol-5-yl)-phenyl)-3-oxo-propionic acid tert-butyl ester → HCID 86586845, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:22])[cH:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17]2)[cH:13]1)=[O:23].[C:24]([CH3:26])([CH3:27])([O:28][C:29](=[O:25])[CH2:30][C:31](=[O:32])[c:33]1[cH:34][c:35](-[c:39]2[cH:40][c:41]([CH3:44])[n:42][o:43]2)[cH:36][cH:37][cH:38]1)[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:22][C:29](=[O:28])[CH2:30][C:31](=[O:32])[c:33]2[cH:34][c:35](-[c:39]3[cH:40][c:41]([CH3:44])[n:42][o:43]3)[cH:36][cH:37][cH:38]2)[cH:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17]2)[cH:13]1)=[O:23]Participants
3
Sources & evidence
- ORD record
- ord-a51644ebc8f9480da2a84103d4be3d0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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