Potassium Cation → 1-[2-Fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropyl-6-(2,3,5-trimethyl-phenoxy)-1H-pyrimidine-2,4-dione

HRID 681750Notes

Reaction equation

HRID 681750 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](=[O:21])[nH:6][c:7](=[O:20])[nH:8][c:9]1[O:10][c:11]1[c:12]([CH3:19])[c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]1.[F:28][c:29]1[n:30][c:31]([NH:41][CH2:42][c:43]2[cH:44][cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]2)[cH:32][c:33]([CH2:35][O:36][S:37]([CH3:38])(=[O:39])=[O:40])[cH:34]1.[I-:51].[K+:26].[K+:27].[Li+:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](=[O:21])[nH:6][c:7](=[O:20])[n:8]([CH2:35][c:33]2[cH:32][c:31]([NH:41][CH2:42][c:43]3[cH:44][cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]3)[n:30][c:29]([F:28])[cH:34]2)[c:9]1[O:10][c:11]1[c:12]([CH3:19])[c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 59184646Methanesulfonic acid 2-fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl esterHCID 591848065-Isopropyl-6-(2,3,5-trimethyl-phenoxy)-1H-pyrimidine-2,4-dione

Product 1

HCID 591848531-[2-Fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropyl-6-(2,3,5-trimethyl-phenoxy)-1H-pyrimidine-2,4-dione

Sources & evidence

ORD record
ord-def96dc0e23c49ac8595a80ea631cd7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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