Hydrochloric Acid → 2-(3-Bromo-4-(4-(thiophen-2-ylsulfonyl)piperazin-1-yl)phenyl)-1,1,1-trifluoro-2-propanol

HRID 197283Notes

Reaction equation

HRID 197283 reaction equation
[Br:1][c:2]1[c:3]([N:15]2[CH2:16][CH2:17][N:18]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:19][CH2:20]2)[cH:4][cH:5][c:6]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:7]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[ClH:28].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[s:42]1[c:43]([S:47](=[O:48])(=[O:49])[Cl:50])[cH:44][cH:45][cH:46]1>>[Br:1][c:2]1[c:3]([N:15]2[CH2:16][CH2:17][N:18]([S:47]([c:43]3[s:42][cH:46][cH:45][cH:44]3)(=[O:48])=[O:49])[CH2:19][CH2:20]2)[cH:4][cH:5][c:6]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 855182-Thiophenesulfonyl chlorideHCID 66582356Tert-butyl 4-(2-bromo-4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-1-piperazinecarboxylate

Product 1

HCID 665829132-(3-Bromo-4-(4-(thiophen-2-ylsulfonyl)piperazin-1-yl)phenyl)-1,1,1-trifluoro-2-propanol

Sources & evidence

ORD record
ord-eadf43211b30444da82d6d4282fb918d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…