3-(2-Cyano-pyridin-4-yl)-3-oxo-propionic acid tert-butyl ester → HCID 86586860, 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]([N:14]([CH3:15])[CH2:16][CH:17]2[CH2:18][CH2:19]2)[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]#[N:42])[n:38][cH:39][cH:40]1)[CH3:43]>>[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]#[N:42])[n:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]([CH3:15])[CH2:16][CH:17]2[CH2:18][CH2:19]2)[cH:13]1)=[O:25]Participants
3
Sources & evidence
- ORD record
- ord-f00460b0cd4d44189bdf86d70e04a85a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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