Methanol → 1,1,1-Trifluoro-2-[4-[2-[(7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

HRID 190975Notes

Reaction equation

HRID 190975 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:48][OH:49].[H-:44].[I:46][CH3:47].[Na+:45].[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][CH:36]([OH: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][CH:36]([O:38][CH3:39])[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

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 166653HydrideHCID 77148516HCID 77148516, compound

Product 1

HCID 771485601,1,1-Trifluoro-2-[4-[2-[(7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

Sources & evidence

ORD record
ord-f5afc3685c1047c7881918e57073ebb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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