Hydrochloric Acid → 4-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]-benzonitrile
Reaction equation
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[Cl:36][CH2:37][Cl:38].[ClH:1].[F:23][C:24]([c:25]1[c:26]([C:27](=[O:28])[Cl:29])[cH:30][cH:31][cH:32][cH:33]1)([F:34])[F:35].[N:2]1([c:8]2[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[OH2:39]>>[N:2]1([c:8]2[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]2)[CH2:3][CH2:4][N:5]([C:27]([c:26]2[c:25]([C:24]([F:23])([F:34])[F:35])[cH:33][cH:32][cH:31][cH:30]2)=[O:28])[CH2:6][CH2:7]1Participants
7
Sources & evidence
- ORD record
- ord-d3c55c70512f4d76b2b6e531192933e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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