Ethanol → HCID 54471464, compound
Reaction equation
[CH3:14][C:15]([CH3:16])([CH3:17])[NH:18][CH2:19][CH2:20][CH2:21][O:22][c:23]1[c:24]([C:29]([CH3:30])=[O:31])[cH:25][cH:26][cH:27][cH:28]1.[CH3:32][CH2:33][OH:34].[Na+:2].[OH-:1].[OH2:35].[nH:3]1[cH:4][cH:5][c:6]2[c:7]([CH:12]=[O:13])[cH:8][cH:9][cH:10][c:11]12>>[nH:3]1[cH:4][cH:5][c:6]2[c:7]([CH:12]=[CH:30][C:29]([c:24]3[c:23]([O:22][CH2:21][CH2:20][CH2:19][NH:18][C:15]([CH3:14])([CH3:16])[CH3:17])[cH:28][cH:27][cH:26][cH:25]3)=[O:31])[cH:8][cH:9][cH:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-0597aa69f3784d1aa28fe80bb364fd93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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