Ethanol → HCID 178474877, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][NH:7][C:8](=[O:9])[CH:10]1[CH2:11][N:12]([C:16]([CH2:17][CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:23][CH2:24]2)=[O:35])[CH2:13][CH2:14][CH2:15]1)[NH:36][C:37]([CH3:38])=[O:39])=[O:40].[CH3:49][CH2:50][OH:51].[K+:48].[Li+:41].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:42].[OH2:57].[S:43](=[O:44])(=[O:45])([OH:46])[O-:47]>>[O:3]=[C:4]([CH:5]([CH2:6][NH:7][C:8](=[O:9])[CH:10]1[CH2:11][N:12]([C:16]([CH2:17][CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:23][CH2:24]2)=[O:35])[CH2:13][CH2:14][CH2:15]1)[NH:36][C:37]([CH3:38])=[O:39])[OH:40]Participants
9
Sources & evidence
- ORD record
- ord-b28e96ae361a4597a88a045c69ad36d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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