Ethanol → HCID 67211115, compound
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][c:13]1[cH:14][c:15]3[c:16]([cH:29][cH:30]1)[C:17](=[CH:26][C:27]#[N:28])[c:18]1[c:19]([cH:22][cH:23][cH:24][cH:25]1)[CH2:20][CH2:21]3)[cH:31][c:32](-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[cH:33][c:34]2[CH3:35].[CH3:44][CH2:45][OH:46].[Na+:43].[OH-:42]>>[O:2]=[C:3]([OH:4])[CH2:5][CH2:6][c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][c:13]1[cH:14][c:15]3[c:16]([cH:29][cH:30]1)[C:17](=[CH:26][C:27]#[N:28])[c:18]1[c:19]([cH:22][cH:23][cH:24][cH:25]1)[CH2:20][CH2:21]3)[cH:31][c:32](-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[cH:33][c:34]2[CH3:35]Participants
5
Sources & evidence
- ORD record
- ord-db00717cfbea4fc599c55807c3d821b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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