Acetic Acid → HCID 57163122, compound
Reaction equation
[BrH:22].[CH3:26][C:27](=[O:28])[OH:29].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH:1]1([C:4]2([OH:21])[c:5]3[c:6]([n:17][cH:18][cH:19][cH:20]3)[CH2:7][O:8][c:9]3[c:10]2[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]3)[CH2:2][CH2:3]1.[Na+:25].[OH-:24].[OH2:23]>>[CH:1]([CH2:2][CH2:3][Br:22])=[C:4]1[c:5]2[c:6]([n:17][cH:18][cH:19][cH:20]2)[CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2Participants
8
Sources & evidence
- ORD record
- ord-77f01851806849b0986cbfd90aab6bb8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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