Acetate → [5-Methyl-2-(4-methyl-piperazin-1-yl)-pyridin-4-yl]-acetic acid tert-butyl ester

HRID 162781Notes

Reaction equation

HRID 162781 reaction equation
[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([CH2:13][c:14]1[cH:15][c:16]([Cl:21])[n:17][cH:18][c:19]1[CH3:20])=[O:22].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:23][N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cl-:30].[NH4+:31].[Na+:6].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[Pd+2:48]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([CH2:13][c:14]1[cH:15][c:16]([N:27]2[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]2)[n:17][cH:18][c:19]1[CH3:20])=[O:22]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 531671-MethylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 86623475(2-Chloro-5-methyl-pyridin-4-yl)-acetic acid tert-butyl ester

Product 1

HCID 66869033[5-Methyl-2-(4-methyl-piperazin-1-yl)-pyridin-4-yl]-acetic acid tert-butyl ester

Sources & evidence

ORD record
ord-e4897f764f3648c49841ae48a6e5922f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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