Acetone → HCID 20245643, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]2[c:12]([cH:13][c:14]1[C:15]([CH3:16])([CH3:17])[CH3:18])[O:11][C:10]([CH3:19])([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([NH2:28])[cH:26][cH:27]1)[CH2:9][C:8]2=[O:29].[C:35]([CH:36]=[CH2:37])(=[O:38])[O:39][CH2:40][CH3:41].[CH3:49][C:50](=[O:51])[CH3:52].[ClH:30].[N:31]([O-:32])=[O:33].[Na+:34].[OH2:42].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]2[c:12]([cH:13][c:14]1[C:15]([CH3:16])([CH3:17])[CH3:18])[O:11][C:10]([CH3:19])([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([CH2:37][CH:36]([Cl:30])[C:35](=[O:38])[O:39][CH2:40][CH3:41])[cH:26][cH:27]1)[CH2:9][C:8]2=[O:29]Participants
9
Sources & evidence
- ORD record
- ord-5788c417131d4c76a8be8f13d4dd6808
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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