Acetone → HCID 59596400, compound
Reaction equation
[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][C:52](=[O:53])[CH3:54].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:17][C:18](=[O:19])[N:20]2[c:21]3[c:22]([cH:27][c:28]([OH:31])[cH:29][cH:30]3)[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15]1)([F:32])[F:33].[NH2:34][c:35]1[n:36][c:37]([Cl:42])[cH:38][c:39]([Cl:41])[n:40]1.[Na+:44].[OH-:43].[OH2:55]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:17][C:18](=[O:19])[N:20]2[c:21]3[c:22]([cH:27][c:28]([O:31][c:39]4[cH:38][c:37]([Cl:42])[n:36][c:35]([NH2:34])[n:40]4)[cH:29][cH:30]3)[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15]1)([F:32])[F:33]Participants
8
Sources & evidence
- ORD record
- ord-956ad11954ca4c7fa471cb73597200cf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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