Acetone → HCID 67093117, compound
Reaction equation
[CH3:12][O:13][C:14]([CH:15]([CH3:16])[N:17]([CH2:18][C:19](=[CH2:20])[CH3:21])[C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32].[CH3:33][O:34][C:35](=[O:36])[CH:37]([N:38]([C:39]([O:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:48])[CH2:49][CH:50]([CH3:51])[CH3:52])[CH3:53].[CH3:60][C:61](=[O:62])[CH3:63].[Cl:1][C:2](=[O:3])[O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[I+3:54]([O-:55])([O-:56])([O-:57])[O-:58].[Na+:59].[OH2:64]>>[O:3]=[C:19]([CH2:18][N:17]([CH:15]([C:14]([O:13][CH3:12])=[O:32])[CH3:16])[C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH3:20]Participants
8
Sources & evidence
- ORD record
- ord-8887f1f30cd34262ad3cfee64d5cd030
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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