Acetone → HCID 178527107, compound
Reaction equation
[CH3:31][C:32](=[O:33])[CH3:34].[Cl:20][c:21]1[cH:22][c:23]([C:28](=[O:25])[O:29][OH:30])[cH:24][cH:26][cH:27]1.[OH2:35].[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[cH:7][c:8]2[c:17]([cH:18][cH:19]1)[O:16][c:15]1[c:10]([cH:11][cH:12][cH:13][cH:14]1)[S:9]2>>[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[cH:7][c:8]2[c:17]([cH:18][cH:19]1)[O:16][c:15]1[c:10]([cH:11][cH:12][cH:13][cH:14]1)[S:9]2=[O:25]Participants
5
Sources & evidence
- ORD record
- ord-7414755b77e74374ab2b98fdf4e05449
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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