3-Oxo-3-(3-[1,2,4]triazol-1-yl-phenyl)-propionic acid tert-butyl ester → HCID 86586856, 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]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19].[C:20]([CH3:22])([CH3:23])([O:24][C:25](=[O:21])[CH2:26][C:27]([c:28]1[cH:29][c:30](-[n:34]2[n:35][cH:36][n:37][cH:38]2)[cH:31][cH:32][cH:33]1)=[O:39])[CH3:40]>>[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]([c:28]2[cH:29][c:30](-[n:34]3[n:35][cH:36][n:37][cH:38]3)[cH:31][cH:32][cH:33]2)=[O:39])[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19]Participants
3
Sources & evidence
- ORD record
- ord-c0db820c043149c99e158442633979d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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