Acetone → HCID 53958373, compound
Reaction equation
[C:46](=[O:47])=[O:48].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:42][C:43](=[O:44])[CH3:45].[CH3:8][N:9]([CH:10]([CH2:11][C:12]([CH:13]([CH2:14][CH:15]=[CH:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[OH:22])([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH3:35])[CH3:36].[Cl:37][C:38]([Cl:39])([Cl:40])[Cl:41].[Cl:62][CH2:63][Cl:64].[F:49][C:50]([F:51])([F:52])[S:53]([Cl:54])(=[O:55])=[O:56].[Na+:61].[O-:57][C:58]([OH:59])=[O:60]>>[CH3:8][N:9]([CH:10]([CH2:11][C:12]([CH:13]=[CH:14][CH:15]=[CH:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH3:35])[CH3:36]Participants
10
Sources & evidence
- ORD record
- ord-30660538512f429d9f45297592dbd446
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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