3-Oxo-3-(3-pyridin-3-yl-phenyl)-propionic acid tert-butyl ester → HCID 86589379, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:22])[cH:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([O:14][CH2:15][CH2:16][CH3:17])[cH:13]1)=[O:23].[C:24]([CH3:26])([CH3:27])([O:28][C:29](=[O:25])[CH2:30][C:31]([c:32]1[cH:33][c:34](-[c:38]2[cH:39][n:40][cH:41][cH:42][cH:43]2)[cH:35][cH:36][cH:37]1)=[O:44])[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:22][C:29](=[O:28])[CH2:30][C:31]([c:32]2[cH:33][c:34](-[c:38]3[cH:39][n:40][cH:41][cH:42][cH:43]3)[cH:35][cH:36][cH:37]2)=[O:44])[cH:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([O:14][CH2:15][CH2:16][CH3:17])[cH:13]1)=[O:23]Participants
3
Sources & evidence
- ORD record
- ord-88caeb0df84f42d19958f8a644e9cdf9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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