Potassium Cation → 2-{4-[2-Chloro-5-(5-isopropyl-2-methyl-phenoxymethyl)-6-methyl-pyrimidin-4-yl]-piperazin-1-yl}-acetamide

HRID 686646Notes

Reaction equation

HRID 686646 reaction equation
[Br:34][CH2:35][C:36](=[O:37])[NH2:38].[C:39](=[O:40])([O-:41])[O-:42].[Cl:8][c:9]1[n:10][c:11]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[c:12]([CH2:16][O:17][c:18]2[c:19]([CH3:27])[cH:20][cH:21][c:22]([CH:24]([CH3:25])[CH3:26])[cH:23]2)[c:13]([CH3:15])[n:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:43].[K+:44]>>[Cl:8][c:9]1[n:10][c:11]([N:28]2[CH2:29][CH2:30][N:31]([CH2:35][C:36](=[O:37])[NH2:38])[CH2:32][CH2:33]2)[c:12]([CH2:16][O:17][c:18]2[c:19]([CH3:27])[cH:20][cH:21][c:22]([CH:24]([CH3:25])[CH3:26])[cH:23]2)[c:13]([CH3:15])[n:14]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 696322-BromoacetamideHCID 575315132-Chloro-4-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-6-piperazin-1-ylpyrimidine

Product 1

HCID 575315092-{4-[2-Chloro-5-(5-isopropyl-2-methyl-phenoxymethyl)-6-methyl-pyrimidin-4-yl]-piperazin-1-yl}-acetamide

Sources & evidence

ORD record
ord-a3c5853c90e24fb380899d66f64b7a90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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