Hydrochloric Acid → 4-(3-Trifluoromethyl-phenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (3-iodo-4-methyl-phenyl)-amide

HRID 2314077Notes

Reaction equation

HRID 2314077 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([I:16])[c:12]([CH3:15])[cH:13][cH:14]2)[cH:17][cH:18]1.[ClH:19].[F:20][C:21]([c:22]1[cH:23][c:24]([CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:25][cH:26][cH:27]1)([F:34])[F:35].[I:36][c:37]1[cH:38][c:39]([NH:40][C:41](=[O:42])[c:43]2[cH:44][cH:45][c:46]([N:47]3[CH2:48][CH2:49][O:50][CH2:51][CH2:52]3)[n:53][cH:54]2)[cH:55][cH:56][c:57]1[CH3:58]>>[c:2]1([N:31]2[CH2:30][CH2:29][CH:28]([c:24]3[cH:23][c:22]([C:21]([F:20])([F:34])[F:35])[cH:27][cH:26][cH:25]3)[CH2:33][CH2:32]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([I:16])[c:12]([CH3:15])[cH:13][cH:14]2)[cH:17][cH:18]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 79255626-chloro-N-(3-iodo-4-methyl-phenyl)-nicotinamideHCID 117363404-(3-(Trifluoromethyl)Phenyl)PiperidineHCID 17541675N-(3-Iodo-4-methyl-phenyl)-6-morpholin-4-yl-nicotinamide

Product 1

HCID 593180604-(3-Trifluoromethyl-phenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (3-iodo-4-methyl-phenyl)-amide

Sources & evidence

ORD record
ord-aa8501b590e949cf8b33fb24c9a35849
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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