3-[N-(2,2,5,5-Tetramethyl-1,3-dioxane-4-carbonyl)amino]propionic acid → HCID 54231823, compound
Reaction equation
[CH3:27][C:28]1([CH3:44])[O:29][CH2:30][C:31]([CH3:42])([CH3:43])[CH:32]([C:34](=[O:35])[NH:36][CH2:37][CH2:38][C:39](=[O:40])[OH:41])[O:33]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[O:26]>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[O:26])[C:39]([CH2:38][CH2:37][NH:36][C:34]([CH:32]1[C:31]([CH3:42])([CH3:43])[CH2:30][O:29][C:28]([CH3:27])([CH3:44])[O:33]1)=[O:35])=[O:40]Participants
3
Sources & evidence
- ORD record
- ord-56dfab7bb833409c8b32c9cbdd890633
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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