3-[3-(3-Methyl-isoxazol-5-yl)-phenyl)-3-oxo-propionic acid tert-butyl ester → HCID 86758266, 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]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[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:32].[C:33]([CH3:35])([CH3:36])([O:37][C:38](=[O:34])[CH2:39][C:40](=[O:41])[c:42]1[cH:43][c:44](-[c:48]2[cH:49][c:50]([CH3:53])[n:51][o:52]2)[cH:45][cH:46][cH:47]1)[CH3:54]>>[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]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[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:38](=[O:37])[CH2:39][C:40](=[O:41])[c:42]1[cH:43][c:44](-[c:48]2[cH:49][c:50]([CH3:53])[n:51][o:52]2)[cH:45][cH:46][cH:47]1)=[O:32]Participants
3
Sources & evidence
- ORD record
- ord-764d9452bfda4a0b934db951ae18d849
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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