Benzene → 4-(3,4-Dichlorophenyl)-3-(4-dimethoxymethylphenyl)-2-butanone
Reaction equation
[CH2:52]([O:53][CH2:54][CH3:55])[CH3:56].[CH3:3][O:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13]([CH3:14])=[O:15])[cH:10][cH:11]1)[O:16][CH3:17].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:18][c:19]1[cH:20][c:21]([CH2:22][Cl:23])[cH:24][cH:25][c:26]1[Cl:27].[H-:1].[Na+:2].[OH:28][C:29]([CH2:30][C:31]([C:32](=[O:33])[OH:34])([CH2:35][C:36](=[O:37])[OH:38])[OH:39])=[O:40].[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH3:3][O:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([CH:12]([C:13]([CH3:14])=[O:15])[CH2:22][c:21]2[cH:20][c:19]([Cl:18])[c:26]([Cl:27])[cH:25][cH:24]2)[cH:10][cH:11]1)[O:16][CH3:17]Participants
9
Sources & evidence
- ORD record
- ord-97bf5996866e4d9993c129b9cae026e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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