Chloride → N-[3-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl]-4-trifluoromethylaniline
Reaction equation
[CH2:56]([Cl:57])[Cl:58].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:28][O:29][C:30]1=[C:35]([O:36][CH3:37])[C:34](=[O:38])[C:33]([CH2:39][c:40]2[c:41]([O:49][C:50]([CH3:51])=[O:52])[c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47][cH:48]2)=[C:32]([CH3:53])[C:31]1=[O:54].[Cl-:19].[Cl:20][CH:21]1[N:22]([CH3:23])[CH2:24][CH2:25][NH+:26]1[CH3:27].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:8][cH:9]1)([F:10])[F:11].[OH2:55]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:7][C:43]([c:42]2[c:41]([O:49][C:50]([CH3:51])=[O:52])[c:40]([CH2:39][C:33]3=[C:32]([CH3:53])[C:31](=[O:54])[C:30]([O:29][CH3:28])=[C:35]([O:36][CH3:37])[C:34]3=[O:38])[cH:48][cH:47][cH:46]2)=[O:44])[cH:8][cH:9]1)([F:10])[F:11]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-a7316ac78294407fb1a3cb0ad0b9ab5f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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