Acetate → tert-Butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

HRID 299525Notes

Reaction equation

HRID 299525 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1.[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:25][C:26]([CH3:27])([O-:28])[CH3:29].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Na+:30].[Pd+2:48]>>[c:2]1([N:22]2[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]2)[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 7364875-BromoisoquinolineHCID 45749132-Methylpropan-2-olate

Product 1

HCID 21070949tert-Butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-8327be6c5a6c4b31a954502b331510f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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