Ethanol → HCID 68468846, compound
Reaction equation
[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:35]2[s:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[n:39]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:34])[c:16]([C:29]([O:31][CH2:30][CH3:32])=[O:33])[cH:17][n:18]([CH:22]([CH2:23][OH:24])[CH2:25][CH:26]([CH3:27])[CH3:28])[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:44].[CH3:45][CH2:46][OH:47].[CH3:48][NH2:49]>>[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:35]2[s:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[n:39]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:34])[c:16]([C:29](=[O:31])[NH:49][CH3:48])[cH:17][n:18]([CH:22]([CH2:23][OH:24])[CH2:25][CH:26]([CH3:27])[CH3:28])[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:44]Participants
4
Sources & evidence
- ORD record
- ord-418f68d17759455da527449cf4f61165
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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