Ethanol → HCID 21099337, compound
Reaction equation
[CH3:51][CH2:52][OH:53].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[O:15][CH:16]2[CH:17]([c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH:18]([CH2:28][CH2:29][S:30]([O-:31])(=[O:32])=[O:33])[CH:19]([CH2:22][CH2:23][S:24]([O-:25])(=[O:26])=[O:27])[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42].[NH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[O:15][CH:16]2[CH:17]([c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH:18]3[CH:19]([CH2:20][CH2:21]2)[CH2:22][N:43]([CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:28]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42]Participants
4
Sources & evidence
- ORD record
- ord-3a7253cbaf7b4cf7ad15e6583b28a37d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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