Acetone → HCID 22238249, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][C:16]([N:17]([CH3:18])[CH3:19])=[O:20])[cH:13][cH:14]1)[NH:21][c:22]1[n:23][c:24]([N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[n:25][cH:26][c:27]1[NH:28][CH2:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]1)=[O:45].[CH3:52][O:53][S:54]([O:55][CH3:56])(=[O:57])=[O:58].[CH3:59][C:60](=[O:61])[CH3:62].[K+:46].[K+:47].[O-:48][C:49]([O-:50])=[O:51]>>[O:5]=[C:6]([CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][C:16]([N:17]([CH3:18])[CH3:19])=[O:20])[cH:13][cH:14]1)[NH:21][c:22]1[n:23][c:24]([N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[n:25][cH:26][c:27]1[NH:28][CH2:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]1)[OH:45]Participants
6
Sources & evidence
- ORD record
- ord-f3ac55d19e784d9492c79b30f2bdaaa8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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