Ammonium → {4-[6-(Methylphenethylamino)pyridazin-3-YL]piperazin-1-YL}-(2-trifluoromethylphenyl)methanone
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH3:26][NH:27][CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl-:36].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[n:6][n:7]1.[K+:42].[K+:43].[NH4+:37]>>[c:2]1([N:27]([CH3:26])[CH2:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[n:6][n:7]1Participants
8
Sources & evidence
- ORD record
- ord-faa3f5f6a18543459480dc0f1850ed0a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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