Ethanol → HCID 25268343, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12](-[c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[cH:13][c:14]([CH:16]2[N:17]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[CH:18]([C:22]([F:23])([F:24])[F:25])[CH2:19][CH2:20][CH2:21]2)[cH:15]1)=[O:45].[CH3:48][CH2:49][OH:50].[K+:47].[OH-:46]>>[O:3]=[C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12](-[c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[cH:13][c:14]([CH:16]2[N:17]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[CH:18]([C:22]([F:23])([F:24])[F:25])[CH2:19][CH2:20][CH2:21]2)[cH:15]1)[OH:45]Participants
5
Sources & evidence
- ORD record
- ord-79660b2ee06344388d969bd228461a14
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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