Potassium Cation → Methyl 2-[1-[[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]cyclopropyl]acetate

HRID 2328436Notes

Reaction equation

HRID 2328436 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH3:31][O:32][C:33]([CH2:34][C:35]1([CH2:38][O:39][S:40]([CH3:41])(=[O:42])=[O:43])[CH2:36][CH2:37]1)=[O:44].[CH:1]([CH3:2])([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].[I-:29].[K+:27].[K+:28].[Li+:30].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH:1]([CH3:2])([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]([CH2:38][C:35]2([CH2:34][C:33]([O:32][CH3:31])=[O:44])[CH2:36][CH2:37]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 468803773-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-benzonitrileHCID 58203553Methyl 2-(1-[(methanesulfonyloxy)-methyl]cyclopropyl)acetate

Product 1

HCID 25214958Methyl 2-[1-[[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]cyclopropyl]acetate

Sources & evidence

ORD record
ord-27f4b5f00dd04c25b8b744a304d7acfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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