Ethanol → HCID 178431982, compound
Reaction equation
[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]2)[O:42]1.[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:61][CH2:62][OH:63].[Cl:1][c:2]1[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[s:22][cH:23][c:24]([CH3:26])[n:25]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60]>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]2)[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[s:22][cH:23][c:24]([CH3:26])[n:25]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1Participants
9
Sources & evidence
- ORD record
- ord-1619387e57b341c590daef0c0871886f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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