3-[3-(2-Methyl-pyridin-4-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester → HCID 86589348, 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]([O:14][CH2:15][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[cH:36][c:37]([CH3:41])[n:38][cH:39][cH:40]2)[cH:32][cH:33][cH:34]1)[CH3:42]>>[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[cH:36][c:37]([CH3:41])[n:38][cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)[cH:10][c:11]([Cl:17])[c:12]([O:14][CH2:15][CH3:16])[cH:13]1)=[O:19]Participants
3
Sources & evidence
- ORD record
- ord-fcc52d0abe654cfe9fb6b4a54688ac6c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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