Chloride → N-[5-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl]-3,4,5-trimethoxyaniline
Reaction equation
[CH2:58]([Cl:59])[Cl:60].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:1][O:2][c:3]1[cH:4][c:5]([NH2:6])[cH:7][c:8]([O:12][CH3:13])[c:9]1[O:10][CH3:11].[CH3:30][O:31][C:32]1=[C:37]([O:38][CH3:39])[C:36](=[O:40])[C:35]([CH2:41][c:42]2[cH:43][cH:44][c:45]([O:51][C:52]([CH3:53])=[O:54])[c:46]([C:47](=[O:48])[OH:49])[cH:50]2)=[C:34]([CH3:55])[C:33]1=[O:56].[Cl-:21].[Cl:22][CH:23]1[N:24]([CH3:25])[CH2:26][CH2:27][NH+:28]1[CH3:29].[OH2:57]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:6][C:47]([c:46]2[c:45]([O:51][C:52]([CH3:53])=[O:54])[cH:44][cH:43][c:42]([CH2:41][C:35]3=[C:34]([CH3:55])[C:33](=[O:56])[C:32]([O:31][CH3:30])=[C:37]([O:38][CH3:39])[C:36]3=[O:40])[cH:50]2)=[O:48])[cH:7][c:8]([O:12][CH3:13])[c:9]1[O:10][CH3:11]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-68f54f957dcc49f0b78f67881a0c010e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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