Potassium Cation → Methyl 1-{[(4-tert-butoxy-4-oxobutyl)amino]carbonyl}-6-(4-fluorophenyl)-2-methoxy-4-methyl-1,6-dihydro-5-pyrimidinecarboxylate

HRID 2339493Notes

Reaction equation

HRID 2339493 reaction equation
[CH3:50][OH:51].[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:29](=[O:30])[O:31][CH3:32])=[C:10]([CH3:28])[N:11]=[C:12]([O:26][CH3:27])[N:13]2[C:14](=[O:15])[O:16][c:17]2[cH:18][cH:19][c:20]([N+:21]([O-:22])=[O:23])[cH:24][cH:25]2)[cH:6][cH:7]1.[K+:33].[K+:34].[NH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[O-:35][C:36]([O-:37])=[O:38]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:29](=[O:30])[O:31][CH3:32])=[C:10]([CH3:28])[N:11]=[C:12]([O:26][CH3:27])[N:13]2[C:14](=[O:15])[NH:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 887MethanolHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 7020335Tert-butyl 4-aminobutanoateHCID 105272225-Methyl 1-(4-nitrophenyl) 6-(4-fluorophenyl)-2-methoxy-4-methyl-1,5(6H)-pyrimidinedicarboxylate

Product 1

HCID 57526926Methyl 1-{[(4-tert-butoxy-4-oxobutyl)amino]carbonyl}-6-(4-fluorophenyl)-2-methoxy-4-methyl-1,6-dihydro-5-pyrimidinecarboxylate

Sources & evidence

ORD record
ord-9929967b263e40b7b7388151fb7ed960
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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