Ethanol → HCID 178490357, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([CH2:12][CH:13]([CH:14]([CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[NH:24][C:25](=[O:26])[O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[OH:35])[CH2:9][CH2:10][CH2:11]1)=[O:36].[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][C:45](=[O:46])[NH:47][CH:48]([CH2:49][C:50]([NH2:51])=[O:52])[C:53]([OH:54])=[O:55].[CH3:56][CH2:57][OH:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([CH2:12][CH:13]([CH:14]([CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[NH:24][C:25](=[O:26])[CH:48]([NH:47][C:45]([O:44][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:46])[CH2:49][C:50]([NH2:51])=[O:52])[OH:35])[CH2:9][CH2:10][CH2:11]1)=[O:36]Participants
4
Sources & evidence
- ORD record
- ord-a66d3187383a4baba513c127097c8047
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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