Sodium ion → N-{3-methyl-5-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]phenyl}-4-(trifluoromethyl)pyrimidin-2-amine

HRID 321294Notes

Reaction equation

HRID 321294 reaction equation
[Br:1][c:2]1[s:3][c:4](-[c:7]2[cH:8][c:9]([NH:14][c:15]3[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]3)[cH:10][c:11]([CH3:13])[cH:12]2)[cH:5][n:6]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][n:35][nH:36][cH:37]2)[O:38]1.[Na+:43].[Na+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[c:2]1(-[c:33]2[cH:34][n:35][nH:36][cH:37]2)[s:3][c:4](-[c:7]2[cH:8][c:9]([NH:14][c:15]3[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]3)[cH:10][c:11]([CH3:13])[cH:12]2)[cH:5][n:6]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 58456233N-[3-(2-bromo-1,3-thiazol-5-yl)-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine

Product 1

HCID 58456134N-{3-methyl-5-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]phenyl}-4-(trifluoromethyl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-130c750b790845d280cbb9facab00db6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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