Potassium Cation → 8-{1-[1-(4-Isopropyl-phenyl)-5-oxo-pyrrolidin-3-ylmethyl]-1H-pyrazol-4-yl}-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

HRID 1229424Notes

Reaction equation

HRID 1229424 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][I:46].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH:12]([CH2:16][n:17]3[n:18][cH:19][c:20](-[c:22]4[n:23][c:24]5[n:25]([CH2:36][CH2:37][CH3:38])[c:26](=[O:35])[n:27]([CH2:32][CH2:33][CH3:34])[c:28](=[O:31])[c:29]5[nH:30]4)[cH:21]3)[CH2:13][C:14]2=[O:15])[cH:8][cH:9]1.[K+:43].[K+:44].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH:12]([CH2:16][n:17]3[n:18][cH:19][c:20](-[c:22]4[n:23][c:24]5[n:25]([CH2:36][CH2:37][CH3:38])[c:26](=[O:35])[n:27]([CH2:32][CH2:33][CH3:34])[c:28](=[O:31])[c:29]5[n:30]4[CH3:39])[cH:21]3)[CH2:13][C:14]2=[O:15])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 8058HexaneHCID 19660Carbonate IonHCID 57988759HCID 57988759, compound

Product 1

HCID 579888008-{1-[1-(4-Isopropyl-phenyl)-5-oxo-pyrrolidin-3-ylmethyl]-1H-pyrazol-4-yl}-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

Sources & evidence

ORD record
ord-41391fcc38864e67ba459cd6a70f8a98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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