Sodium ion → 5-(2-Amino-4-methyl-pyrimidin-5-yl)-2-chloro-N-(5-trifluoromethyl-pyridin-2-yl)benzenesulfonamide

HRID 1538155Notes

Reaction equation

HRID 1538155 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([Cl:22])[c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:7]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:23][O:24][CH2:25][CH2:26][O:27][CH3:28].[CH3:29][c:30]1[n:31][c:32]([NH2:45])[n:33][cH:34][c:35]1[B:36]1[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Na+:50].[Na+:51]>>[c:2]1(-[c:35]2[c:30]([CH3:29])[n:31][c:32]([NH2:45])[n:33][cH:34]2)[cH:3][cH:4][c:5]([Cl:22])[c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 529879064-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyrimidin-2-amineHCID 687257695-bromo-2-chloro-N-(5-trifluoromethyl-pyridin-2-yl)-benzenesulfonamide

Product 1

HCID 687237395-(2-Amino-4-methyl-pyrimidin-5-yl)-2-chloro-N-(5-trifluoromethyl-pyridin-2-yl)benzenesulfonamide

Sources & evidence

ORD record
ord-6a31c469ff384fbcad0229b8ac190c91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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