2-Methyl-2-(oxan-4-yl)propanoic acid → HCID 178495215, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][CH2:43][NH2:44])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1.[CH3:45][C:46]([C:47](=[O:48])[OH:49])([CH3:50])[CH:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][CH2:43][NH:44][C:47]([C:46]([CH3:45])([CH3:50])[CH:51]3[CH2:52][CH2:53][O:54][CH2:55][CH2:56]3)=[O:48])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1Participants
3
Sources & evidence
- ORD record
- ord-2894470c51834db8922dce454ce23b51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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