Acetic Acid → HCID 59580759, compound
Reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[Cl:26][CH:27]([Cl:28])[CH3:29].[F:1][c:2]1[cH:3][c:4](-[c:8]2[s:9][c:10]([N:13]([C:14]([CH2:15][CH2:16][S:17][CH3:18])=[O:19])[CH3:20])[cH:11][n:12]2)[cH:5][n:6][cH:7]1.[Na+:25].[O-:21][C:22]([OH:23])=[O:24]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[s:9][c:10]([N:13]([C:14]([CH2:15][CH2:16][S:17]([CH3:18])=[O:21])=[O:19])[CH3:20])[cH:11][n:12]2)[cH:5][n:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-b68ce221a58d4c7786755be6b57b0132
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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