(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester → HCID 86586846, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:22])[cH:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17]2)[cH:13]1)=[O:23].[C:24]([CH3:26])([CH3:27])([O:28][C:29](=[O:25])[CH2:30][C:31]([c:32]1[cH:33][c:34](-[n:38]2[n:39][n:40][cH:41][c:42]2[CH2:43][O:44][CH:45]2[O:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[cH:35][cH:36][cH:37]1)=[O:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:22][C:29](=[O:28])[CH2:30][C:31]([c:32]2[cH:33][c:34](-[n:38]3[n:39][n:40][cH:41][c:42]3[CH2:43][O:44][CH:45]3[O:46][CH2:47][CH2:48][CH2:49][CH2:50]3)[cH:35][cH:36][cH:37]2)=[O:51])[cH:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17]2)[cH:13]1)=[O:23]Participants
3
Sources & evidence
- ORD record
- ord-8e22754df7f249629ee0d658ce696362
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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