Acetone → HCID 178447489, compound
Reaction equation
[Br:61][CH2:62][CH2:63][CH2:64][Cl:65].[C:55](=[O:56])([O-:57])[O-:58].[CH3:66][C:67](=[O:68])[CH3:69].[Cs+:59].[Cs+:60].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][n:10]2[cH:11][cH:12][c:13]3[cH:14][cH:15][cH:16][c:17]([O:19][CH:20]4[CH:21]([O:22][C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH:29]([O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH:37]([O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH:45]([CH2:47][O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[O:46]4)[c:18]23)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][n:10]2[cH:11][cH:12][c:13]3[cH:14][cH:15][cH:16][c:17]([O:19][CH:20]4[CH:21]([O:22][C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH:29]([O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH:37]([O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH:45]([CH2:47][O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[O:46]4)[c:18]23)[cH:6][cH:7]1)[CH2:62][CH2:63][CH2:64][Cl:65]Participants
6
Sources & evidence
- ORD record
- ord-dde52c9dc55e47fd8940aa5fbfe0fe9a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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