Water → (4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

HRID 2132667Notes

Reaction equation

HRID 2132667 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][S:41]([Cl:42])(=[O:43])=[O:44].[Cl:30][CH2:31][Cl:32].[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([N:12]2[CH:13]([CH2:26][OH:27])[CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]3[s:22][cH:23][cH:24][cH:25]3)[CH2:16][CH2:17]2)[cH:10][cH:11]1)([F:28])[F:29].[OH2:45]>>[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([N:12]2[CH:13]([CH2:26][O:27][S:41]([CH3:40])(=[O:43])=[O:44])[CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]3[s:22][cH:23][cH:24][cH:25]3)[CH2:16][CH2:17]2)[cH:10][cH:11]1)([F:28])[F:29]

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 665823821,1,1-Trifluoro-2-(4-(2-(hydroxymethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

Product 1

HCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

Sources & evidence

ORD record
ord-07c74398b23e4604a7532d8524902129
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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