(RS)-3-{3-[3-methyl-4-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-5-yl]-phenyl}-3-oxo-propionic acid tert.-butyl ester → HCID 86586827, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:18])[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19].[C:20]([CH3:22])([CH3:23])([O:24][C:25](=[O:21])[CH2:26][C:27](=[O:28])[c:29]1[cH:30][c:31](-[c:35]2[c:36]([CH2:41][O:42][CH:43]3[O:44][CH2:45][CH2:46][CH2:47][CH2:48]3)[c:37]([CH3:40])[n:38][o:39]2)[cH:32][cH:33][cH:34]1)[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:18][C:25](=[O:24])[CH2:26][C:27](=[O:28])[c:29]2[cH:30][c:31](-[c:35]3[c:36]([CH2:41][O:42][CH:43]4[O:44][CH2:45][CH2:46][CH2:47][CH2:48]4)[c:37]([CH3:40])[n:38][o:39]3)[cH:32][cH:33][cH:34]2)[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19]Participants
3
Sources & evidence
- ORD record
- ord-25287f56b4d64ed79844156ddb7097d1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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