3-Oxo-3-(3-[1,2,3)triazol-1-yl-phenyl)-propionic acid ethyl ester → HCID 86586820, 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][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH2:14])=[O:28].[CH2:29]([O:31][C:32](=[O:30])[CH2:33][C:34]([c:35]1[cH:36][c:37](-[n:41]2[n:42][n:43][cH:44][cH:45]2)[cH:38][cH:39][cH:40]1)=[O:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH:14][C:32](=[O:31])[CH2:33][C:34]([c:35]1[cH:36][c:37](-[n:41]2[n:42][n:43][cH:44][cH:45]2)[cH:38][cH:39][cH:40]1)=[O:46])=[O:28]Participants
3
Sources & evidence
- ORD record
- ord-9bf71283fae941c6a5b4d2d6ce41de0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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