Potassium Cation → 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3,5-dimethyl-benzoyl)-5-isopropyl-1H-pyrimidine-2,4-dione

HRID 154592Notes

Reaction equation

HRID 154592 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28](=[O:29])(=[O:30])[Cl:31].[CH3:32][c:33]1[cH:34][c:35]([C:36](=[O:37])[c:38]2[c:39]([CH:46]([CH3:47])[CH3:48])[c:40](=[O:45])[nH:41][c:42](=[O:44])[nH:43]2)[cH:49][c:50]([CH3:52])[cH:51]1.[CH:61]([Cl:62])([Cl:63])[Cl:64].[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[I-:59].[K+:57].[K+:58].[Li+:60].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][n:43]2[c:38]([C:36]([c:35]3[cH:34][c:33]([CH3:32])[cH:51][c:50]([CH3:52])[cH:49]3)=[O:37])[c:39]([CH:46]([CH3:47])[CH3:48])[c:40](=[O:45])[nH:41][c:42]2=[O:44])[cH:7]1

Participants

11

Reactant 10

HCID 813Potassium Cation2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 8471TriethylamineHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 31297Methanesulfonyl chlorideHCID 222565826-(3,5-Dimethyl-benzoyl)-5-isopropyl-1H-pyrimidine-2,4-dioneHCID 59184714HCID 59184714, compound

Product 1

HCID 591846691-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3,5-dimethyl-benzoyl)-5-isopropyl-1H-pyrimidine-2,4-dione

Sources & evidence

ORD record
ord-e4327ccd89d84290a44af4d4fa74b8f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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