Hydrochloric Acid → N-(3-Chloro-6-fluoro-1H-indazol-5-yl)-4-[2-fluoro-4-(trifluoro-methyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide

HRID 146180Notes

Reaction equation

HRID 146180 reaction equation
[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[Cl:34][c:35]1[n:36][nH:37][c:38]2[cH:39][c:40]([F:45])[c:41]([NH2:44])[cH:42][c:43]12.[Cl:46][CH2:47][Cl:48].[ClH:61].[F:1][c:2]1[c:3]([CH:12]2[C:13]([C:20](=[O:21])[OH:22])=[C:14]([CH3:19])[NH:15][C:16](=[O:18])[CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[F:1][c:2]1[c:3]([CH:12]2[C:13]([C:20](=[O:21])[NH:44][c:41]3[c:40]([F:45])[cH:39][c:38]4[nH:37][n:36][c:35]([Cl:34])[c:43]4[cH:42]3)=[C:14]([CH3:19])[NH:15][C:16](=[O:18])[CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 688271204-[2-Fluoro-4-(trifluoromethyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acidHCID 1785072033-chloro-6-fluoro-1H-indazol-5-amine

Product 1

HCID 178429200N-(3-Chloro-6-fluoro-1H-indazol-5-yl)-4-[2-fluoro-4-(trifluoro-methyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide

Sources & evidence

ORD record
ord-633801c44c7a4f19a8d3bf4406e944ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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