Ethanol → HCID 13823533, compound
Reaction equation
[CH3:29][CH2:30][OH:31].[CH3:3][C:4]([CH3:5])([CH3:6])[NH:7][CH2:8][CH:9]([CH2:10][O:11][c:12]1[c:13]([C:18]#[C:19][c:20]2[cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]2)[cH:14][cH:15][cH:16][cH:17]1)[OH:28].[Na+:2].[OH-:1]>>[O:1]=[C:24]([c:23]1[cH:22][cH:21][c:20]([C:19]#[C:18][c:13]2[c:12]([O:11][CH2:10][CH:9]([CH2:8][NH:7][C:4]([CH3:3])([CH3:5])[CH3:6])[OH:28])[cH:17][cH:16][cH:15][cH:14]2)[cH:27][cH:26]1)[NH2:25]Participants
5
Sources & evidence
- ORD record
- ord-744f94407b6945dd8747dd62d6a3b755
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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