Chloride → N-[4-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-phenylbenzoyl]-4-trifluoromethyl-Aniline
Reaction equation
[CH2:57]([Cl:58])[Cl:59].[CH3:1][O:2][C:3]1=[C:8]([O:9][CH3:10])[C:7](=[O:11])[C:6]([CH2:12][c:13]2[cH:14][c:15](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]2)=[C:5]([CH3:28])[C:4]1=[O:29].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl-:48].[Cl:49][CH:50]1[N:51]([CH3:52])[CH2:53][CH2:54][NH+:55]1[CH3:56].[F:30][C:31]([c:32]1[cH:33][cH:34][c:35]([NH2:36])[cH:37][cH:38]1)([F:39])[F:40].[OH2:60]>>[CH3:1][O:2][C:3]1=[C:8]([O:9][CH3:10])[C:7](=[O:11])[C:6]([CH2:12][c:13]2[cH:14][c:15](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:16]([C:17](=[O:18])[NH:36][c:35]3[cH:34][cH:33][c:32]([C:31]([F:30])([F:39])[F:40])[cH:38][cH:37]3)[cH:20][cH:21]2)=[C:5]([CH3:28])[C:4]1=[O:29]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cfcc6efe95cc451ba2d9ffb916e9587c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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