Ethanol → HCID 178495191, compound
Reaction equation
[CH3:1][O:2][C:3]([C:4]([CH2:5][CH:6]1[N:7]([S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]2)[CH2:8][CH:9]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:36]2)[N:27]([CH2:31][CH2:32][CH2:33][O:34][CH3:35])[CH2:28][CH2:29][O:30]3)[CH:10]([c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:11]1)([CH3:47])[CH3:48])=[O:49].[CH3:57][CH2:58][OH:59].[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:50]>>[O:2]=[C:3]([C:4]([CH2:5][CH:6]1[N:7]([S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]2)[CH2:8][CH:9]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:36]2)[N:27]([CH2:31][CH2:32][CH2:33][O:34][CH3:35])[CH2:28][CH2:29][O:30]3)[CH:10]([c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:11]1)([CH3:47])[CH3:48])[OH:49]Participants
6
Sources & evidence
- ORD record
- ord-389fa05c5b4f460584c18c1266d68e8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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