Ethanol → HCID 10434288, compound
Reaction equation
[BH4-:42].[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][CH2:20][NH2:21])[cH:17][n:18]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1.[CH3:47][CH2:48][OH:49].[Cl:44][CH2:45][Cl:46].[Na+:35].[Na+:36].[Na+:43].[O-:37][S:38]([O-:39])(=[O:40])=[O:41].[O:22]=[C:23]1[NH:24][c:25]2[c:26]([cH:29][cH:30][c:31]([CH:33]=[O:34])[n:32]2)[S:27][CH2:28]1>>[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][CH2:20][NH:21][CH2:33][c:31]4[cH:30][cH:29][c:26]5[c:25]([n:32]4)[NH:24][C:23](=[O:22])[CH2:28][S:27]5)[cH:17][n:18]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1Participants
8
Sources & evidence
- ORD record
- ord-53e16e0527f948f694bacf9b5ec46bdd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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