Ammonium → 1,1,1-Trifluoro-2-[4-[2-[2-(oxetan-3-ylamino)propyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

HRID 98675

Reaction equation

HRID 98675 reaction equation
[BH4-:37].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][OH:47].[Cl-:39].[NH4+:40].[Na+:38].[O:32]1[CH2:33][CH:34]([NH2:36])[CH2:35]1.[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[N:9]2[CH2:10][CH:11]([CH2:28][C:29]([CH3:30])=[O:31])[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][CH:29]([CH3:30])[NH:36][CH:34]3[CH2:33][O:32][CH2:35]3)[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

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 98339233-OxetanamineHCID 178467638HCID 178467638, compound

Product 1

HCID 771483551,1,1-Trifluoro-2-[4-[2-[2-(oxetan-3-ylamino)propyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

Sources & evidence

ORD record
ord-6ce4f220430b4cf380a9c5ae498ca7e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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