Acetone → HCID 178447584, compound
Reaction equation
[CH3:62][C:63](=[O:64])[CH3:65].[Na+:61].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:40])[N:14]([CH:27]([C:28](=[O:29])[O:30][CH2:31][O:32][CH:33]([CH3:34])[O:35][CH3:36])[C:37](=[CH2:38])[CH3:39])[CH:15]1[S:16][S:17][c:18]1[s:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26]1.[c:41]1([S:47](=[O:48])(=[O:49])[C:50]#[N:51])[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:52]1([S:53]([O-:54])=[O:55])[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:40])[N:14]([CH:27]([C:28](=[O:29])[O:30][CH2:31][O:32][CH:33]([CH3:34])[O:35][CH3:36])[C:37](=[CH2:38])[CH3:39])[CH:15]1[S:16][S:47]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)(=[O:48])=[O:49]Participants
6
Sources & evidence
- ORD record
- ord-8122afd1972a4da682ef527e91a90b09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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