3-(2-Cyano-pyridin-4-yl)-3-oxo-propionic acid tert-butyl ester → HCID 86586842, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:19])[cH:10][c:11]([Cl:18])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17]2)[cH:13]1)=[O:20].[C:21]([CH3:23])([CH3:24])([O:25][C:26](=[O:22])[CH2:27][C:28](=[O:29])[c:30]1[cH:31][c:32]([C:36]#[N:37])[n:33][cH:34][cH:35]1)[CH3:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:19][C:26](=[O:25])[CH2:27][C:28](=[O:29])[c:30]2[cH:31][c:32]([C:36]#[N:37])[n:33][cH:34][cH:35]2)[cH:10][c:11]([Cl:18])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17]2)[cH:13]1)=[O:20]Participants
3
Sources & evidence
- ORD record
- ord-8629588fa1a04a078ba12bfa6ef6a626
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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