Potassium Cation → 3-{5-Cyclopropyl-3-[2-fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-5-methyl-benzonitrile

HRID 689345Notes

Reaction equation

HRID 689345 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:1]1([c:4]2[c:5]([C:21](=[O:22])[c:23]3[cH:24][c:25]([C:26]#[N:27])[cH:28][c:29]([CH3:31])[cH:30]3)[n:6]([CH2:12][c:13]3[cH:14][c:15]([F:20])[n:16][c:17]([F:19])[cH:18]3)[c:7](=[O:11])[nH:8][c:9]2=[O:10])[CH2:2][CH2:3]1.[F:38][c:39]1[cH:40][c:41]([CH2:42][O:43][S:44]([CH3:45])(=[O:46])=[O:47])[cH:48][c:49]([NH:51][CH2:52][c:53]2[cH:54][cH:55][c:56]([O:59][CH3:60])[cH:57][cH:58]2)[n:50]1.[I-:61].[K+:36].[K+:37].[Li+:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67]>>[CH:1]1([c:4]2[c:5]([C:21](=[O:22])[c:23]3[cH:24][c:25]([C:26]#[N:27])[cH:28][c:29]([CH3:31])[cH:30]3)[n:6]([CH2:12][c:13]3[cH:14][c:15]([NH:51][CH2:52][c:53]4[cH:54][cH:55][c:56]([O:59][CH3:60])[cH:57][cH:58]4)[n:16][c:17]([F:19])[cH:18]3)[c:7](=[O:11])[nH:8][c:9]2=[O:10])[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 250296833-[5-Cyclopropyl-3-(2,6-difluoro-pyridin-4-ylmethyl)-2,6-dioxo 1,2,3,6tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrileHCID 59184646Methanesulfonic acid 2-fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl ester

Product 1

HCID 591847693-{5-Cyclopropyl-3-[2-fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-5-methyl-benzonitrile

Sources & evidence

ORD record
ord-84ee562bfcac4dcb85fca11896d97c5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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