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

HRID 2122677

Reaction equation

HRID 2122677 reaction equation
[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[s:10][c:11]([CH3:20])[c:12](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:13]2)[cH:21][cH:22]1.[ClH:23].[F:24][C:25]([c:26]1[cH:27][c:28]([CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:29][cH:30][cH:31]1)([F:38])[F:39]>>[c:2]1([N:35]2[CH2:34][CH2:33][CH:32]([c:28]3[cH:27][c:26]([C:25]([F:24])([F:38])[F:39])[cH:31][cH:30][cH:29]3)[CH2:37][CH2:36]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[s:10][c:11]([CH3:20])[c:12](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:13]2)[cH:21][cH:22]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 33799416-chloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamideHCID 117363404-(3-(Trifluoromethyl)Phenyl)Piperidine

Product 1

HCID 593179814-(3-trifluoromethyl-phenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (5-methyl-4-phenyl-thiazol-2-yl)-amide

Sources & evidence

ORD record
ord-07424d76a2994297bc753d258db281f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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