Potassium Cation → 3-{5-Dimethylamino-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 1127100Notes

Reaction equation

HRID 1127100 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH3:1][N:2]([c:3]1[c:4]([C:11](=[O:12])[c:13]2[cH:14][c:15]([C:16]#[N:17])[cH:18][c:19]([CH3:21])[cH:20]2)[nH:5][c:6](=[O:10])[nH:7][c:8]1=[O:9])[CH3:22].[CH3:59][C:60]#[N:61].[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]>>[CH3:1][N:2]([c:3]1[c:4]([C:11](=[O:12])[c:13]2[cH:14][c:15]([C:16]#[N:17])[cH:18][c:19]([CH3:21])[cH:20]2)[n:5]([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:6](=[O:10])[nH:7][c:8]1=[O:9])[CH3:22]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 59184646Methanesulfonic acid 2-fluoro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl esterHCID 591846513-(5-Dimethylamino-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-benzonitrile

Product 1

HCID 591848143-{5-Dimethylamino-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-ac410886953945a8a052beabdff9f170
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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