Potassium Cation → 1-(2-Methyl-pentanoyl)-piperidine-3-carboxylic acid [2-(5-fluoro-pyridin-3-yl)-4-methyl-thiazol-5-yl]-methyl-amide

HRID 2338794Notes

Reaction equation

HRID 2338794 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:30][CH:31]([C:32](=[O:33])[Cl:34])[CH2:35][CH2:36][CH3:37].[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[Cl:47][CH:48]([Cl:49])[CH3:50].[Cl:51][CH2:52][Cl:53].[F:1][c:2]1[cH:3][c:4](-[c:8]2[s:9][c:10]([N:14]([C:15](=[O:16])[CH:17]3[CH2:18][NH:19][CH2:20][CH2:21][CH2:22]3)[CH3:23])[c:11]([CH3:13])[n:12]2)[cH:5][n:6][cH:7]1.[K+:28].[K+:29].[OH2:54]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[s:9][c:10]([N:14]([C:15](=[O:16])[CH:17]3[CH2:18][N:19]([C:32]([CH:31]([CH3:30])[CH2:35][CH2:36][CH3:37])=[O:33])[CH2:20][CH2:21][CH2:22]3)[CH3:23])[c:11]([CH3:13])[n:12]2)[cH:5][n:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 142844-(Dimethylamino)pyridineHCID 19660Carbonate IonHCID 1073852-Methylvaleryl chlorideHCID 59580768N-(2-(5-fluoropyridin-3-yl)-4-methylthiazol-5-yl)-N-methylpiperidine-3-carboxamide

Product 1

HCID 595806541-(2-Methyl-pentanoyl)-piperidine-3-carboxylic acid [2-(5-fluoro-pyridin-3-yl)-4-methyl-thiazol-5-yl]-methyl-amide

Sources & evidence

ORD record
ord-155b8640ad094f0da4aa741a8a6c3de0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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