3-[3-(3-Methyl-isoxazol-5-yl)-phenyl)-3-oxo-propionic acid tert-butyl ester → HCID 86586921, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:19])[cH:10][c:11]([C:17]#[N:18])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:20].[C:21]([CH3:23])([CH3:24])([O:25][C:26](=[O:22])[CH2:27][C:28](=[O:29])[c:30]1[cH:31][c:32](-[c:36]2[cH:37][c:38]([CH3:41])[n:39][o:40]2)[cH:33][cH:34][cH:35]1)[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:19][C:26](=[O:25])[CH2:27][C:28](=[O:29])[c:30]2[cH:31][c:32](-[c:36]3[cH:37][c:38]([CH3:41])[n:39][o:40]3)[cH:33][cH:34][cH:35]2)[cH:10][c:11]([C:17]#[N:18])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:20]Participants
3
Sources & evidence
- ORD record
- ord-b3b457f9b26047e389a6816979920c65
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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