Acetone → HCID 178489749, compound
Reaction equation
[CH3:46][C:47](=[O:48])[CH3:49].[F:7][c:8]1[c:9](-[c:16]2[c:17](=[O:44])[n:18]([CH2:34][CH:35]([CH2:36][OH:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:19](=[O:33])[n:20]([CH2:23][c:24]3[c:25]([F:32])[cH:26][cH:27][cH:28][c:29]3[S:30][CH3:31])[c:21]2[CH3:22])[cH:10][cH:11][cH:12][c:13]1[O:14][CH3:15].[Na+:5].[O-:1][C:2]([OH:3])=[O:4].[OH2:45].[OH2:6]>>[O:6]=[S:30]([c:29]1[c:24]([CH2:23][n:20]2[c:19](=[O:33])[n:18]([CH2:34][CH:35]([CH2:36][OH:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:17](=[O:44])[c:16](-[c:9]3[c:8]([F:7])[c:13]([O:14][CH3:15])[cH:12][cH:11][cH:10]3)[c:21]2[CH3:22])[c:25]([F:32])[cH:26][cH:27][cH:28]1)([CH3:31])=[O:45]Participants
6
Sources & evidence
- ORD record
- ord-f97421c792d847f283399a07c1d1c212
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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