Acetate → 4-[4-(4-Chloro-benzyl)-6-(1-hydroxy-1-methyl-ethyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

HRID 2318786Notes

Reaction equation

HRID 2318786 reaction equation
[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[Cl:1][c:2]1[n:3][c:4]([CH2:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[n:7]1.[NH2:20][CH:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]1.[Na+:39].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[Pd+2:77]>>[c:2]1([NH:20][CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]2)[n:3][c:4]([CH2:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[n:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 12682914-Amino-1-Boc-piperidineHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 866567012-[2-Chloro-6-(4-chloro-benzyl)-pyrimidin-4-yl]-propan-2-ol

Product 1

HCID 673420264-[4-(4-Chloro-benzyl)-6-(1-hydroxy-1-methyl-ethyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-64e5dcb23fe14e918a368622cfed7018
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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