(RS)-3-{3-[2-Methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionic acid tert-butyl ester → HCID 86589467, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37](-[c:41]2[cH:42][c:43]([CH3:55])[n:44][c:45]([CH2:47][O:48][CH:49]3[O:50][CH2:51][CH2:52][CH2:53][CH2:54]3)[cH:46]2)[cH:38][cH:39][cH:40]1)[CH3:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37](-[c:41]3[cH:42][c:43]([CH3:55])[n:44][c:45]([CH2:47][O:48][CH:49]4[O:50][CH2:51][CH2:52][CH2:53][CH2:54]4)[cH:46]3)[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25]Participants
3
Sources & evidence
- ORD record
- ord-222f44585ad84d22917893da28686149
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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