Acetate → 4-(3-Chloro-5-methylpyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester

HRID 199362Notes

Reaction equation

HRID 199362 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:14][c:15]1[n:16][cH:17][c:18]([CH3:22])[cH:19][c:20]1[Cl:21].[Na+:28].[O-:37][C:38]([CH3:39])=[O:40].[O-:41][C:42]([CH3:43])=[O:44].[OH2:45].[Pd+2:36]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][cH:17][c:18]([CH3:22])[cH:19][c:20]2[Cl:21])[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 127477612,3-Dichloro-5-methylpyridine

Product 1

HCID 673809194-(3-Chloro-5-methylpyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-3db22c6334ea44c892579e98bce7a493
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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