Ethanol → HCID 178463693, compound
Reaction equation
[CH3:52][CH2:53][OH:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:47])[N:15]([CH2:19][c:20]3[c:21]([N:31]([CH2:32][CH3:33])[CH2:34][CH:35]4[CH2:36][CH2:37][CH:38]([CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:39][CH2:40]4)[cH:22][cH:23][c:24]([O:26][C:27]([F:28])([F:29])[F:30])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:48])[F:49].[K+:51].[OH-:50]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:47])[N:15]([CH2:19][c:20]3[c:21]([N:31]([CH2:32][CH3:33])[CH2:34][CH:35]4[CH2:36][CH2:37][CH:38]([CH2:41][C:42](=[O:43])[OH:44])[CH2:39][CH2:40]4)[cH:22][cH:23][c:24]([O:26][C:27]([F:28])([F:29])[F:30])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:48])[F:49]Participants
5
Sources & evidence
- ORD record
- ord-aa82298d261c434ba08d81ab68ed1e96
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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