Dichloromethane → N-[1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-2-yl]-4-methylbenzamide
Reaction equation
[CH2:39]([Cl:40])[Cl:41].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:11][c:12]1[cH:13][c:14]([CH2:15][N:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH:23]([CH:24]([CH3:25])[CH3:26])[NH2:27])[CH2:20][CH2:21]2)[cH:28][cH:29][c:30]1[Cl:31].[c:1]1([CH3:10])[cH:2][cH:3][c:4]([C:7](=[O:8])[Cl:9])[cH:5][cH:6]1>>[c:1]1([CH3:10])[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:27][CH:23]([CH2:22][N:19]2[CH2:18][CH2:17][N:16]([CH2:15][c:14]3[cH:13][c:12]([Cl:11])[c:30]([Cl:31])[cH:29][cH:28]3)[CH2:21][CH2:20]2)[CH:24]([CH3:25])[CH3:26])[cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-7d2a60459e754e0b9b5dc982e884393a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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