Acetone → HCID 54545150, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][C:6]([CH2:7][CH:8]([CH:9]=[CH:10][c:11]1[c:12]([CH:28]2[CH2:29][CH2:30]2)[n:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]1-[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[OH:31])=[O:32])=[O:33].[CH3:34][C:35](=[O:36])[CH3:37].[CH3:43][OH:44].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[OH2:45].[S:38](=[O:39])(=[O:40])([OH:41])[OH:42]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][C:6]([CH2:7][C:8]([CH:9]=[CH:10][c:11]1[c:12]([CH:28]2[CH2:29][CH2:30]2)[n:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]1-[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)=[O:31])=[O:32])=[O:33]Participants
8
Sources & evidence
- ORD record
- ord-43b5d08a74d24f5f88bf7b194224048e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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