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

HRID 1220681Notes

Reaction equation

HRID 1220681 reaction equation
[C:1](=[CH2:2])([CH3:3])[c:4]1[c:5]([C:12](=[O:13])[c:14]2[cH:15][c:16]([C:17]#[N:18])[cH:19][c:20]([CH3:22])[cH:21]2)[nH:6][c:7](=[O:11])[nH:8][c:9]1=[O:10].[C:48](=[O:49])([O-:50])[O-:51].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[F:23][c:24]1[n:25][c:26]([NH:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)[cH:27][c:28]([CH2:30][O:31][S:32]([CH3:33])(=[O:34])=[O:35])[cH:29]1.[I-:46].[K+:52].[K+:53].[Li+:47].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[C:1](=[CH2:2])([CH3:3])[c:4]1[c:5]([C:12](=[O:13])[c:14]2[cH:15][c:16]([C:17]#[N:18])[cH:19][c:20]([CH3:22])[cH:21]2)[n:6]([CH2:30][c:28]2[cH:27][c:26]([NH:36][CH2:37][c:38]3[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]3)[n:25][c:24]([F:23])[cH:29]2)[c:7](=[O:11])[nH:8][c:9]1=[O:10]

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 591846913-(5-Isopropenyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-benzonitrile

Product 1

HCID 591847123-{3-[2-Fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropenyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-5-methyl-benzonitrile

Sources & evidence

ORD record
ord-0ad1d034ebf84bafab9632d587a433b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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