Acetate → 4-[5-(4-fluorophenyl)-2-trifluoromethyl-1-(2-trimethylsilylethoxymethyl)-1H-imidazol-4-yl]benzenesulfonamide

HRID 319189Notes

Reaction equation

HRID 319189 reaction equation
[Br-:35].[CH2:36]([Mg+:37])[CH2:38][CH2:39][CH3:40].[CH2:41]([B:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[CH3:47].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:55][C:56](=[O:57])[O-:58].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:25]3[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]3)[n:10][c:11]([C:21]([F:22])([F:23])[F:24])[n:12]2[CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:6][cH:7]1.[NH2:48][O:49][S:50]([OH:51])(=[O:52])=[O:53].[Na+:54].[OH2:64]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:25]3[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH2:48])[cH:29][cH:30]3)[n:10][c:11]([C:21]([F:22])([F:23])[F:24])[n:12]2[CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175AcetateHCID 259Bromide ionHCID 923Sodium ionHCID 962WaterHCID 7357TriethylboraneHCID 8028TetrahydrofuranHCID 76284hydroxylamine-O-sulfonic acidHCID 18463689HCID 18463689, compoundHCID 178448190HCID 178448190, compound

Product 1

HCID 184637044-[5-(4-fluorophenyl)-2-trifluoromethyl-1-(2-trimethylsilylethoxymethyl)-1H-imidazol-4-yl]benzenesulfonamide

Sources & evidence

ORD record
ord-b15677801c7d473fb528fa2bc1228880
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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