3-[3-(3-Methyl-isoxazol-5-yl)-phenyl)-3-oxo-propionic acid tert-butyl ester → HCID 86586874, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([C:19]#[N:20])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30](=[O:31])[c:32]1[cH:33][c:34](-[c:38]2[cH:39][c:40]([CH3:43])[n:41][o:42]2)[cH:35][cH:36][cH:37]1)[CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30](=[O:31])[c:32]2[cH:33][c:34](-[c:38]3[cH:39][c:40]([CH3:43])[n:41][o:42]3)[cH:35][cH:36][cH:37]2)[cH:10][c:11]([C:19]#[N:20])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:13]1)=[O:22]Participants
3
Sources & evidence
- ORD record
- ord-b1a533f26b364ac3b4633245c0f6a602
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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