Acetate → 4-[6-(4-Bromo-2,5-difluoro-phenylamino)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester

HRID 180170

Reaction equation

HRID 180170 reaction equation
[Br:49][c:50]1[cH:51][c:52]([F:58])[c:53]([NH2:57])[cH:54][c:55]1[F:56].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:43][C:44]([CH3:45])([O-:46])[CH3:47].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:21])[c:19]2[CH3:20])[CH2:11][CH2:12]1.[Na+:48].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[Pd+2:69].[c:22]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][c:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[cH:42]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:57][c:53]3[c:52]([F:58])[cH:51][c:50]([Br:49])[c:55]([F:56])[cH:54]3)[c:19]2[CH3:20])[CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27732854-Bromo-2,5-difluoroanilineHCID 45749132-Methylpropan-2-olateHCID 114933574-(6-Chloro-5-methyl-pyrimidin-4-yloxy)-piperidine-1-carboxylic acid isopropyl esterHCID 67201513Biphenyl-3-yl-di-tert-butyl-phosphane

Product 1

HCID 598566844-[6-(4-Bromo-2,5-difluoro-phenylamino)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester

Sources & evidence

ORD record
ord-c064675b01874446aafadbfd2c01122c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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