3-Oxo-3-(3-[1,2,3)triazol-1-yl-phenyl)-propionic acid ethyl ester → HCID 86758263, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[c:11](-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:12][c:13]1[NH2:14])=[O:27].[CH2:28]([O:30][C:31](=[O:29])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[n:40]2[n:41][n:42][cH:43][cH:44]2)[cH:37][cH:38][cH:39]1)=[O:45])[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[c:11](-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:12][c:13]1[NH:14][C:31](=[O:30])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[n:40]2[n:41][n:42][cH:43][cH:44]2)[cH:37][cH:38][cH:39]1)=[O:45])=[O:27]Participants
3
Sources & evidence
- ORD record
- ord-603bd05c427e4452a5120d461c8f25b5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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