Ethanol → HCID 11329696, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25])[CH2:26][c:27]3[cH:28][c:29]4[c:30]([cH:38][cH:39]3)[O:31][C:32]([CH3:36])([CH3:37])[O:33][C:34]4=[O:35])[cH:40][cH:41]2)[cH:9][cH:10]1.[CH3:44][CH2:45][OH:46].[Na+:43].[OH-:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25])[CH2:26][c:27]3[cH:28][c:29]([C:34](=[O:33])[OH:35])[c:30]([OH:31])[cH:38][cH:39]3)[cH:40][cH:41]2)[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-e5b176b65ef4428a911c9a4db88fd10c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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