Sodium ion → 2-(4-(2-((Benzyloxy)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol

HRID 1152951Notes

Reaction equation

HRID 1152951 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:6][cH:7]1.[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:22][CH2:23][CH:24]1[CH2:25][N:26]([S:30](=[O:31])(=[O:32])[c:33]2[s:34][cH:35][cH:36][cH:37]2)[CH2:27][CH2:28][NH:29]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:44][O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Na+:43].[OH2:50]>>[c:2]1([N:29]2[CH:24]([CH2:23][O:22][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:25][N:26]([S:30](=[O:31])(=[O:32])[c:33]3[s:34][cH:35][cH:36][cH:37]3)[CH2:27][CH2:28]2)[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 15413tert-Butyl methyl etherHCID 45749132-Methylpropan-2-olateHCID 583472902-(4-Bromophenyl)-1,1,1-trifluoropropan-2-olHCID 665827403-(Benzyloxymethyl)-1-(thiophen-2-ylsulfonyl)piperazine

Product 1

HCID 665825752-(4-(2-((Benzyloxy)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol

Sources & evidence

ORD record
ord-a5111fa9971b4f2390b44f8e9c5225b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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