Ethanol → HCID 57809733, compound
Reaction equation
[CH3:35][CH2:36][OH:37].[O:1]1[CH:2]([c:7]2[cH:8][c:9]([C:13]([CH2:14][C:15]([CH2:16][n:17]3[cH:18][cH:19][c:20](=[O:27])[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]34)([C:28]([F:29])([F:30])[F:31])[OH:32])([CH3:33])[CH3:34])[cH:10][cH:11][cH:12]2)[O:6][CH2:5][CH2:4][CH2:3]1.[OH2:55].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1.[nH+:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[O:1]=[CH:2][c:7]1[cH:8][c:9]([C:13]([CH2:14][C:15]([CH2:16][n:17]2[cH:18][cH:19][c:20](=[O:27])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)([C:28]([F:29])([F:30])[F:31])[OH:32])([CH3:33])[CH3:34])[cH:10][cH:11][cH:12]1Participants
6
Sources & evidence
- ORD record
- ord-862f777717b245c4bab4b5dc2b154f6c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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