Ethanol → HCID 25268345, 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:33]2[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]2)[cH:13][c:14]([CH:16]2[N:17]([CH2:26][c:27]3[cH:28][cH:29][cH:30][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:43].[CH3:46][CH2:47][OH:48].[K+:45].[OH-:44]>>[O:3]=[C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12](-[c:33]2[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]2)[cH:13][c:14]([CH:16]2[N:17]([CH2:26][c:27]3[cH:28][cH:29][cH:30][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:43]Participants
5
Sources & evidence
- ORD record
- ord-1d6c5bacad64482685eb595a3b8cf31e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…