Ethanol → HCID 25120910, compound
Reaction equation
[CH3:59][CH2:60][OH:61].[F:18][c:19]1[c:20](-[c:33]2[cH:34][c:35]3[c:36]([s:37]2)[c:38](-[c:42]2[cH:43][c:44]([F:58])[n:45][cH:46][c:47]2[O:48][CH2:49][CH2:50][O:51][CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][O:57]2)[cH:39][cH:40][cH:41]3)[n:21][c:22]([NH:25][CH2:26][CH2:27][n:28]2[n:29][n:30][cH:31][cH:32]2)[n:23][cH:24]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[nH+:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[F:18][c:19]1[c:20](-[c:33]2[cH:34][c:35]3[c:36]([s:37]2)[c:38](-[c:42]2[cH:43][c:44]([F:58])[n:45][cH:46][c:47]2[O:48][CH2:49][CH2:50][OH:51])[cH:39][cH:40][cH:41]3)[n:21][c:22]([NH:25][CH2:26][CH2:27][n:28]2[n:29][n:30][cH:31][cH:32]2)[n:23][cH:24]1Participants
5
Sources & evidence
- ORD record
- ord-1613662f776045b69575c3507a32abf6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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