Water → 4-(2-Cyanophenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide
Reaction equation
[C:1](#[N:2])[c:3]1[c:4]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[Cl:39][CH2:40][Cl:41].[F:22][C:23]([c:24]1[cH:25][c:26]([N:34]=[C:35]=[O:36])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:37])[F:38].[OH2:42]>>[C:1](#[N:2])[c:3]1[c:4]([N:9]2[CH2:10][CH2:11][N:12]([C:35]([NH:34][c:26]3[cH:25][c:24]([C:23]([F:22])([F:37])[F:38])[cH:29][c:28]([C:30]([F:31])([F:32])[F:33])[cH:27]3)=[O:36])[CH2:13][CH2:14]2)[cH:5][cH:6][cH:7][cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-a85bf9395c2146b585173bc6bca89784
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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