Acetate → Tert-butyl 4-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxylate

HRID 1201856Notes

Reaction equation

HRID 1201856 reaction equation
[Br:20][c:21]1[cH:22][cH:23][c:24]([O:27][C:28]([F:29])([F:30])[F:31])[cH:25][cH:26]1.[C:1](=[O:2])([O-:3])[O-:4].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[CH2:39]([O:40][C:41](=[O:42])[CH3:43])[CH3:44].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cs+:5].[Cs+:6].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([c:21]2[cH:22][cH:23][c:24]([O:27][C:28]([F:29])([F:30])[F:31])[cH:25][cH:26]2)[CH2:18][CH2:19]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 5210081-Bromo-4-(trifluoromethoxy)benzene

Product 1

HCID 59793537Tert-butyl 4-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-96c1686d0b12487b9f56a802838cb218
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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