Acetate → 4-[6-(6-Chloro-2-methyl-pyridin-3-ylamino)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester

HRID 1222742Notes

Reaction equation

HRID 1222742 reaction equation
[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[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.[Cl:49][c:50]1[cH:51][cH:52][c:53]([NH2:57])[c:54]([CH3:56])[n:55]1.[Na+:48].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[Pd+2:68].[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[cH:52][cH:51][c:50]([Cl:49])[n:55][c:54]3[CH3:56])[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 45749132-Methylpropan-2-olateHCID 70095003-Amino-6-chloro-2-picolineHCID 114933574-(6-Chloro-5-methyl-pyrimidin-4-yloxy)-piperidine-1-carboxylic acid isopropyl esterHCID 67201513Biphenyl-3-yl-di-tert-butyl-phosphane

Product 1

HCID 112471394-[6-(6-Chloro-2-methyl-pyridin-3-ylamino)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester

Sources & evidence

ORD record
ord-b54aef20ec754e61942909fd5866daf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…