Ethanol → HCID 25054501, compound
Reaction equation
[CH3:26][CH2:27][OH:28].[F:1][c:2]1[c:3]2[c:4]([c:5]3[cH:6][cH:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[c:9]3[cH:10]1)[C:20]([CH3:25])=[N:21][CH2:22][CH2:23][O:24]2>>[F:1][c:2]1[c:3]2[c:4]([c:5]3[cH:6][cH:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[c:9]3[cH:10]1)[CH:20]([CH3:25])[NH:21][CH2:22][CH2:23][O:24]2Participants
3
Sources & evidence
- ORD record
- ord-73bb44dc7d8348cd824c1ac64776bbd3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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