Acetone → HCID 178450351, compound
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][S:9][C:10]1=[C:11]([O:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH2:12][CH:13]([OH:26])[CH:14]1[CH:15]=[CH:16][CH:17]([CH2:18][CH:19]([CH2:20][CH2:21][CH2:22][CH3:23])[CH3:24])[OH:25])=[O:32].[CH3:46][C:47](=[O:48])[CH3:49].[ClH:38].[NH4+:39].[NH4+:40].[O-:33][P:34](=[O:35])([O-:36])[O-:37].[O-:41][S:42](=[O:43])(=[O:44])[O-:45]>>[O:2]=[C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][S:9][C:10]1=[C:11]([O:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH2:12][CH:13]([OH:26])[CH:14]1[CH:15]=[CH:16][CH:17]([CH2:18][CH:19]([CH2:20][CH2:21][CH2:22][CH3:23])[CH3:24])[OH:25])[OH:32]Participants
7
Sources & evidence
- ORD record
- ord-e0e42bd2eafa44669de955b4296e56ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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