Potassium Cation → 4-[2-(4-Trifluoromethyl-phenylsulfanyl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 684637

Reaction equation

HRID 684637 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[c:15]([S:20][Si:21]([CH:22]([CH3:23])[CH3:24])([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[cH:16][cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[F-:48].[I:31][c:32]1[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]1.[K+:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[c:15]([S:20][c:32]3[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]3)[cH:16][cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 67993Benzene, 1-iodo-4-(trifluoromethyl)-HCID 45749132-Methylpropan-2-olateHCID 686357834-(2-Triisopropylsilanylsulfanyl-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 686811394-[2-(4-Trifluoromethyl-phenylsulfanyl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-76f9f4fb65734edc90e9eb99fc729606
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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