Ethanol → HCID 10287414, compound
Reaction equation
[CH2:33]([OH:34])[CH3:35].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][n:19]([CH2:26][CH2:27][O:28][CH3:29])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]34)[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9]1)=[O:30].[Na+:32].[OH-:31]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][n:19]([CH2:26][CH2:27][O:28][CH3:29])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]34)[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9]1)[OH:30]Participants
5
Sources & evidence
- ORD record
- ord-3b636326ff8c4fc5a8ba167bacbbf9a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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