3-[3-(3-Methyl-isoxazol-5-yl)-phenyl)-3-oxo-propionic acid tert-butyl ester → HCID 86586819, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH2:14])=[O:28].[C:29]([CH3:31])([CH3:32])([O:33][C:34](=[O:30])[CH2:35][C:36](=[O:37])[c:38]1[cH:39][c:40](-[c:44]2[cH:45][c:46]([CH3:49])[n:47][o:48]2)[cH:41][cH:42][cH:43]1)[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH:14][C:34](=[O:33])[CH2:35][C:36](=[O:37])[c:38]1[cH:39][c:40](-[c:44]2[cH:45][c:46]([CH3:49])[n:47][o:48]2)[cH:41][cH:42][cH:43]1)=[O:28]Participants
3
Sources & evidence
- ORD record
- ord-30cb1c724e7e410cb87c64efdff16e2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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