Potassium Cation → 1-{5-tert-Butyl-2-[4-(2-methoxy-ethoxymethyl)-phenyl]-2H-pyrazol-3-yl}-3-[2-fluoro-4-(2-methyl-pyridin-4-yloxy)-phenyl]-urea

HRID 108919Notes

Reaction equation

HRID 108919 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[NH:21][c:22]2[c:23]([F:36])[cH:24][c:25]([O:28][c:29]3[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]3)[cH:26][cH:27]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][OH:17])[cH:14][cH:15]2)[n:9]1.[C:53](=[O:54])([O-:55])[O-:56].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:43][S:44](=[O:45])(=[O:46])[Cl:47].[CH3:48][O:49][CH2:50][CH2:51][OH:52].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[K+:37].[K+:38].[Na+:57].[Na+:58].[O-:39][C:40]([O-:41])=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[NH:21][c:22]2[c:23]([F:36])[cH:24][c:25]([O:28][c:29]3[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]3)[cH:26][cH:27]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][O:17][CH2:51][CH2:50][O:49][CH3:48])[cH:14][cH:15]2)[n:9]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 80192-MethoxyethanolHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate Ion2×HCID 31297Methanesulfonyl chlorideHCID 115332541-[5-tert-Butyl-2-(4-hydroxymethyl-phenyl)-2H-pyrazol-3-yl]-3-[2-fluoro-4-(2-methyl-Pyridin-4-yloxy)-phenyl)-urea

Product 1

HCID 116496591-{5-tert-Butyl-2-[4-(2-methoxy-ethoxymethyl)-phenyl]-2H-pyrazol-3-yl}-3-[2-fluoro-4-(2-methyl-pyridin-4-yloxy)-phenyl]-urea

Sources & evidence

ORD record
ord-c121d5db17c84a56affafb7eaff55729
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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