Ethanol → HCID 68467935, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH3:9])[CH3:10])[n:11]1[cH:12][c:13]([C:43]([O:45][CH2:44][CH3:46])=[O:47])[c:14](=[O:42])[c:15]2[cH:16][c:17](-[c:21]3[cH:22][n:23][c:24]([NH:36][C:37](=[O:38])[NH:39][CH2:40][CH3:41])[cH:25][c:26]3-[c:27]3[s:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[n:31]3)[cH:18][cH:19][c:20]12)=[O:48].[CH3:49][CH2:50][OH:51].[CH3:52][NH2:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH3:9])[CH3:10])[n:11]1[cH:12][c:13]([C:43](=[O:45])[NH:53][CH3:52])[c:14](=[O:42])[c:15]2[cH:16][c:17](-[c:21]3[cH:22][n:23][c:24]([NH:36][C:37](=[O:38])[NH:39][CH2:40][CH3:41])[cH:25][c:26]3-[c:27]3[s:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[n:31]3)[cH:18][cH:19][c:20]12)=[O:48]Participants
4
Sources & evidence
- ORD record
- ord-a4b5957fdd144d07aa8f331dc7d0c855
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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