Ethanol → HCID 20278959, compound
Reaction equation
[CH3:41][OH:42].[CH3:6][CH2:7][OH:8].[F:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][CH2:24][NH:25][C:26]([c:27]3[c:28]([N+:33]([O-:34])=[O:35])[cH:29][cH:30][cH:31][cH:32]3)=[O:36])[CH2:20][CH2:21]2)[cH:37][cH:38]1.[H:39][H:40].[cH:1]1[cH:2][s:3][cH:4][cH:5]1>>[F:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][CH2:24][NH:25][C:26]([c:27]3[c:28]([NH2:33])[cH:29][cH:30][cH:31][cH:32]3)=[O:36])[CH2:20][CH2:21]2)[cH:37][cH:38]1Participants
6
Sources & evidence
- ORD record
- ord-fef303e3e71c40648cbee16ade0191ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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