Ammonium → 2-[3,5-Bis(trifluoromethyl)phenyl]-N-[6-(1,1-dioxidohexahydro-5H-isothiazolo[2,3-a]pyrazin-5-yl)-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-N,2-dimethylpropanamide
Reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH3:56][S:57]([CH3:58])=[O:59].[Cl-:54].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:32])[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[K+:52].[K+:53].[NH4+:55].[S:37]1(=[O:46])(=[O:47])[CH2:38][CH2:39][CH:40]2[N:41]1[CH2:42][CH2:43][NH:44][CH2:45]2>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:44]3[CH2:43][CH2:42][N:41]4[S:37](=[O:46])(=[O:47])[CH2:38][CH2:39][CH:40]4[CH2:45]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-16b9ea0b8bb54d6081ef15947f33ad7f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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