Potassium Cation → N-tert-butyl-2-{1-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-1H-imidazol-4-yl}-thiazole-5-sulfonamide

HRID 1130082Notes

Reaction equation

HRID 1130082 reaction equation
[C:39]([CH3:40])([CH3:41])([CH3:42])[NH:43][S:44](=[O:45])(=[O:46])[c:47]1[cH:48][n:49][c:50]([Cl:52])[s:51]1.[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:31])([c:6]1[n:7][cH:8][n:9](-[c:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[n:16]2)[cH:10]1)[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[F-:53].[K+:54].[OH2:55]>>[c:6]1(-[c:50]2[n:49][cH:48][c:47]([S:44]([NH:43][C:39]([CH3:40])([CH3:41])[CH3:42])(=[O:45])=[O:46])[s:51]2)[n:7][cH:8][n:9](-[c:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[n:16]2)[cH:10]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 962WaterHCID 1140TolueneHCID 28179Fluoride IonHCID 434557712-Chloro-thiazole-5-sulfonic acid tert-butylamideHCID 574688252-(4-Tributylstannanyl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine

Product 1

HCID 57468925N-tert-butyl-2-{1-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-1H-imidazol-4-yl}-thiazole-5-sulfonamide

Sources & evidence

ORD record
ord-3e8ebdc63f1047c8bd4a46ff266d887b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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