Potassium Cation → 3-(3-{3-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pyridin-4-ylmethyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-5-methyl-phenyl)-acrylonitrile

HRID 119043Notes

Reaction equation

HRID 119043 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[C:33]1(=[O:51])[c:34]2[c:35]([cH:47][cH:48][cH:49][cH:50]2)[C:36](=[O:46])[N:37]1[c:38]1[n:39][cH:40][cH:41][c:42]([CH2:44][Cl:45])[cH:43]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:12](=[O:13])[c:14]2[cH:15][c:16]([CH:21]=[CH:22][C:23]#[N:24])[cH:17][c:18]([CH3:20])[cH:19]2)[nH:6][c:7](=[O:11])[nH:8][c:9]1=[O:10].[I-:31].[K+:29].[K+:30].[Li+:32].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:12](=[O:13])[c:14]2[cH:15][c:16]([CH:21]=[CH:22][C:23]#[N:24])[cH:17][c:18]([CH3:20])[cH:19]2)[n:6]([CH2:44][c:42]2[cH:41][cH:40][n:39][c:38]([N:37]3[C:33](=[O:51])[c:34]4[c:35]([cH:47][cH:48][cH:49][cH:50]4)[C:36]3=[O:46])[cH:43]2)[c:7](=[O:11])[nH:8][c:9]1=[O:10]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 591846992-[4-(Chloromethyl)-2-pyridinyl]-1H-isoindole-1,3(2H)-dioneHCID 667053903-[3-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-phenyl]-acrylonitrile

Product 1

HCID 667055303-(3-{3-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pyridin-4-ylmethyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl}-5-methyl-phenyl)-acrylonitrile

Sources & evidence

ORD record
ord-ab77564a9bda476d8546f5eb9f4935e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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