Water → 2-(4-Amino-3-propyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

HRID 2316294Notes

Reaction equation

HRID 2316294 reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][cH:9][cH:10]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[F:26][C:27]([C:28](=[O:29])[C:30]([F:31])([F:32])[F:33])([F:34])[F:35].[OH2:11].[OH2:23].[OH2:24].[OH2:25].[c:12]1([CH3:13])[cH:14][cH:15][c:16]([S:17]([OH:18])(=[O:19])=[O:20])[cH:21][cH:22]1>>[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([C:28]([C:27]([F:26])([F:34])[F:35])([OH:29])[C:30]([F:31])([F:32])[F:33])[cH:10]1

Participants

6

Reactant 5

HCID 962Water4×HCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 12695HexafluoroacetoneHCID 157592-Propylaniline

Product 1

HCID 592009542-(4-Amino-3-propyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

Sources & evidence

ORD record
ord-0118892f0fb24652b75f8dff53631025
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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