Sodium ion → 4-(tert-butyl)-N-(1-methyl-4-(4-methylphenyl)-3-{2-[(5-nitro-2-pyrimidinyl)oxy]ethoxy}-1H-pyrazol-5-yl)benzenesulphonamide

HRID 183189

Reaction equation

HRID 183189 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[c:17]([O:21][CH2:22][CH2:23][OH:24])[n:18][n:19]2[CH3:20])[cH:9][cH:10]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Cl:34][c:35]1[n:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][n:40]1.[H-:32].[Na+:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[c:17]([O:21][CH2:22][CH2:23][O:24][c:35]3[n:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][n:40]3)[n:18][n:19]2[CH3:20])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 825442-Chloro-5-nitropyrimidineHCID 166653HydrideHCID 222820434-(tert-butyl)-N-[3-(2-hydroxyethoxy)-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

Product 1

HCID 222819704-(tert-butyl)-N-(1-methyl-4-(4-methylphenyl)-3-{2-[(5-nitro-2-pyrimidinyl)oxy]ethoxy}-1H-pyrazol-5-yl)benzenesulphonamide

Sources & evidence

ORD record
ord-f7a6758584654015acfbca0b5545c375
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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