Acetone → HCID 178458150, compound
Reaction equation
[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH3:1][C:2]1([CH3:3])[CH2:6][O:7][CH:5]([CH:8]([CH3:9])[CH:10]2[CH2:11][CH2:12][CH:13]3[C:14]4=[CH:15][CH:16]=[C:17]5[CH2:18][CH:19]([OH:30])[CH2:20][CH:21]([OH:29])[C:22]5([CH3:23])[CH:24]4[CH2:25][CH2:26][C:27]23[CH3:28])[O:4][CH2:31]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:55][C:56](=[O:57])[CH3:58].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[O:4]=[CH:5][CH:8]([CH3:9])[CH:10]1[CH2:11][CH2:12][CH:13]2[C:14]3=[CH:15][CH:16]=[C:17]4[CH2:18][CH:19]([OH:30])[CH2:20][CH:21]([OH:29])[C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28]Participants
6
Sources & evidence
- ORD record
- ord-62e9bdfe53904b6f9e21fbd249708e4f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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