Acetone → HCID 86739456, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([CH:7]([NH:8][C:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17])[CH2:18][c:19]1[cH:20][c:21]([Cl:29])[c:22]([O:25][CH2:26][CH:27]=[CH2:28])[cH:23][cH:24]1)=[O:30])[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38].[CH3:42][C:43](=[O:44])[CH3:45].[ClH:41].[Na+:40].[OH-:39]>>[O:2]=[C:3]([CH:4]([NH:5][C:6]([CH:7]([NH:8][C:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17])[CH2:18][c:19]1[cH:20][c:21]([Cl:29])[c:22]([O:25][CH2:26][CH:27]=[CH2:28])[cH:23][cH:24]1)=[O:30])[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[OH:38]Participants
6
Sources & evidence
- ORD record
- ord-9e16e4af16f940db81f76f2906ae69df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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