(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester → HCID 86586825, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:20])[cH:10][c:11]([Cl:19])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:13]1)=[O:21].[C:22]([CH3:24])([CH3:25])([O:26][C:27](=[O:23])[CH2:28][C:29]([c:30]1[cH:31][c:32](-[n:36]2[n:37][n:38][cH:39][c:40]2[CH2:41][O:42][CH:43]2[O:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:33][cH:34][cH:35]1)=[O:49])[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:20][C:27](=[O:26])[CH2:28][C:29]([c:30]2[cH:31][c:32](-[n:36]3[n:37][n:38][cH:39][c:40]3[CH2:41][O:42][CH:43]3[O:44][CH2:45][CH2:46][CH2:47][CH2:48]3)[cH:33][cH:34][cH:35]2)=[O:49])[cH:10][c:11]([Cl:19])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:13]1)=[O:21]Participants
3
Sources & evidence
- ORD record
- ord-5015346efcda4a26a958e76924e416b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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