Ethanol → HCID 178431580, compound
Reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[CH2:51]([CH2:52][O:53][CH3:54])[O:55][CH3:56].[CH3:57][CH2:58][OH:59].[Cl:1][c:2]1[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[CH:19]([CH3:20])[CH3:21])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:22]>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[cH:36][cH:35]2)[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[CH:19]([CH3:20])[CH3:21])[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-f3428c0bcbed40dcb962d155e24bb328
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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