Ethanol → HCID 68866096, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]([CH2:12][c:13]1[cH:14][c:15]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:16]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:17][cH:18]1)[CH2:31][O:32][S:33]([c:34]1[c:35]([CH3:36])[cH:37][cH:38][cH:39][cH:40]1)(=[O:41])=[O:42])=[O:43].[CH3:44][S-:45].[CH3:47][CH2:48][OH:49].[CH3:50][OH:51].[Na+:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]([CH2:12][c:13]1[cH:14][c:15]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:16]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:17][cH:18]1)[CH2:31][S:45][CH3:44])=[O:43]Participants
6
Sources & evidence
- ORD record
- ord-edcd26258b2543f5973abb80e3e7b71a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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