Ammonium → 4-Hydroxy-6-(4-trifluoromethylphenylthio)2-hexanone

HRID 1209146Notes

Reaction equation

HRID 1209146 reaction equation
[Br-:32].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:33][CH2:34][CH2:35][CH2:36][N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:12]([O-:13])=[O:14].[ClH:11].[F:16][C:17]([c:18]1[cH:19][cH:20][c:21]([S:24][CH2:25][CH2:26][CH:27]=[O:28])[cH:22][cH:23]1)([F:29])[F:30].[NH4+:15].[Na+:10].[OH-:9].[OH2:31]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:27]([CH2:26][CH2:25][S:24][c:21]1[cH:20][cH:19][c:18]([C:17]([F:16])([F:29])[F:30])[cH:23][cH:22]1)[OH:28]

Participants

12

Reactant 11

HCID 223AmmoniumHCID 259Bromide ionHCID 283FormateHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 7757Methyl acetoacetateHCID 16028TetrabutylammoniumHCID 143479823-(4-Trifluoromethylphenylthio)propanal

Product 1

HCID 145344724-Hydroxy-6-(4-trifluoromethylphenylthio)2-hexanone

Sources & evidence

ORD record
ord-5d9ee2a41ffd421190e42b9b04033a1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…