Ethanol → HCID 178431573, compound
Reaction equation
[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]2)[O:40]1.[CH3:47][CH2:48][OH:49].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][n:22][cH:23][cH:24]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+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:61]>>[c:2]1(-[c:33]2[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]2)[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][n:22][cH:23][cH:24]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-0da7388b6f43418796fadfd8c765df54
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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