Bromide ion → 7-Methyl-9-[[4-thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

HRID 143160Notes

Reaction equation

HRID 143160 reaction equation
[Br-:39].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:40][Mg+:41].[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[N:9]2[CH2:10][CH:11]([CH2:28][N:29]3[CH:30]4[CH2:31][O:32][CH2:33][CH:34]3[CH2:35][C:36](=[O:38])[CH2:37]4)[N:12]([c:15]3[cH:16][cH:17][c:18]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[N:9]2[CH2:10][CH:11]([CH2:28][N:29]3[CH:30]4[CH2:31][O:32][CH2:33][CH:34]3[CH2:35][C:36]([OH:38])([CH3:40])[CH2:37]4)[N:12]([c:15]3[cH:16][cH:17][c:18]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 771483329-[[4-Thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-oneHCID 178477777HCID 178477777, compound

Product 1

HCID 771485397-Methyl-9-[[4-thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

Sources & evidence

ORD record
ord-070c7b0e2bc64f71944b274b10bbb5d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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