1,1-Dichloroethane → 4-(2,5-Dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile
Reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][CH:17]([CH3:34])[N:18]([c:22]2[cH:23][c:24]([C:30]([F:31])([F:32])[F:33])[c:25]([C:26]#[N:27])[cH:28][cH:29]2)[CH2:19][CH:20]1[CH3:21].[Cl:1][C:2]([O:3][CH:4]([Cl:5])[CH3:6])=[O:7].[Cl:35][CH:36]([Cl:37])[CH3:38]>>[NH:15]1[CH2:16][CH:17]([CH3:34])[N:18]([c:22]2[cH:23][c:24]([C:30]([F:31])([F:32])[F:33])[c:25]([C:26]#[N:27])[cH:28][cH:29]2)[CH2:19][CH:20]1[CH3:21]Participants
4
Sources & evidence
- ORD record
- ord-4700b6a32c85447f83ff9a72faba1387
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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