Acetate → Tert-butyl 4-(4-(2-methoxy-2-oxoethyl)phenyl)piperazine-1-carboxylate

HRID 138116Notes

Reaction equation

HRID 138116 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cs+:5].[Cs+:6].[F:7][C:8]([F:9])([F:10])[S:11]([O:12][c:13]1[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:17][cH:18]1)(=[O:24])=[O:25].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[Pd+2:46]>>[c:13]1([N:36]2[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH2:37]2)[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:17][cH:18]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 10542066Methyl 2-{4-[(trifluoromethyl)sulfonyloxy]phenyl}acetate

Product 1

HCID 18466559Tert-butyl 4-(4-(2-methoxy-2-oxoethyl)phenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-e23694e331994b31a2dade2b81b6dc7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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