Ethanol → HCID 91981564, compound
Reaction equation
[CH3:32][O:33][c:34]1[cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40][c:41]1-[n:42]1[cH:43][n:44][c:45]([CH3:47])[cH:46]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:59][CH2:60][OH:61].[Li+:3].[O:4]=[C:5]1[CH:6]([P:24](=[O:25])([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31])[CH2:7][CH2:8][CH:9]2[CH2:10][O:11][CH2:12][CH:13]([c:15]3[cH:16][c:17]([F:23])[c:18]([F:22])[c:19]([F:21])[cH:20]3)[N:14]12.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH-:2].[OH2:1].[OH2:62]>>[O:4]=[C:5]1[C:6](=[CH:37][c:36]2[cH:35][c:34]([O:33][CH3:32])[c:41](-[n:42]3[cH:43][n:44][c:45]([CH3:47])[cH:46]3)[cH:40][cH:39]2)[CH2:7][CH2:8][CH:9]2[CH2:10][O:11][CH2:12][CH:13]([c:15]3[cH:16][c:17]([F:23])[c:18]([F:22])[c:19]([F:21])[cH:20]3)[N:14]12Participants
9
Sources & evidence
- ORD record
- ord-0d7aef223a1f48a185cc8899938f41f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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