Acetone → HCID 66593056, compound
Reaction equation
[CH3:29][C:30](=[O:31])[CH3:32].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([O:18][CH3:19])[c:7]2[o:8][c:9]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:10]([CH3:12])[c:11]12.[Cl+:25]([O-:26])[O-:27].[NH2:20][S:21]([OH:22])(=[O:23])=[O:24].[Na+:28].[OH2:33]>>[C:1](=[O:2])([c:3]1[cH:4][cH:5][c:6]([O:18][CH3:19])[c:7]2[o:8][c:9]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:10]([CH3:12])[c:11]12)[OH:22]Participants
7
Sources & evidence
- ORD record
- ord-beeb9477d459469b85cd42f191c05c8e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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