Acetate → Methyl 2-methyl-4-(4-methylpiperazin-1-yl)benzoate

Reaction equation

[Br:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:13](=[O:14])([O-:15])[O-:16].[CH3:19][N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[Cs+:17].[Cs+:18].[O-:27][C:28]([CH3:29])=[O:30].[O-:31][C:32]([CH3:33])=[O:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Pd+2:26]>>[c:2]1([N:23]2[CH2:22][CH2:21][N:20]([CH3:19])[CH2:25][CH2:24]2)[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

Reactant 7

HCID 175Acetate2×

HCID 19660Carbonate Ion

HCID 312751,4-Dioxane

HCID 531671-Methylpiperazine

HCID 104967Cesium cation2×

HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

HCID 22031226Methyl 4-bromo-2-methylbenzoate

Product 1

Sources & evidence

ORD record: ord-16941d12da234aab9aa07e15c48f9ba3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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