Ethanol → HCID 9985165, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:36])[cH:9][c:10]([S:13][CH:14]([CH2:15][CH3:16])[CH2:17][N:18]([CH2:19][CH2:20][CH3:21])[S:22](=[O:23])(=[O:24])[c:25]2[c:26]([CH3:35])[c:27]3[c:28]([s:29]2)[cH:30][cH:31][c:32]([Cl:34])[cH:33]3)[cH:11][cH:12]1)=[O:37].[CH3:46][CH2:47][OH:48].[Na+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH-:38]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:36])[cH:9][c:10]([S:13][CH:14]([CH2:15][CH3:16])[CH2:17][N:18]([CH2:19][CH2:20][CH3:21])[S:22](=[O:23])(=[O:24])[c:25]2[c:26]([CH3:35])[c:27]3[c:28]([s:29]2)[cH:30][cH:31][c:32]([Cl:34])[cH:33]3)[cH:11][cH:12]1)[OH:37]Participants
6
Sources & evidence
- ORD record
- ord-8de0b43849ff4bc4a8a81563eaa0edd2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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