Acetate → Methyl 4-[3-[[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]benzoate

HRID 1547007Notes

Reaction equation

HRID 1547007 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[N:11]2[CH2:12][C:13]([CH3:25])([CH3:26])[C:14]([OH:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[CH2:15][CH2:16]2)[CH:27]([CH3:28])[CH3:29])[cH:30][cH:31][cH:32]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:33][O:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cs+:50].[Cs+:51].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[Pd+2:63]>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([C:35]([O:34][CH3:33])=[O:36])[cH:42][cH:41]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[N:11]2[CH2:12][C:13]([CH3:25])([CH3:26])[C:14]([OH:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[CH2:15][CH2:16]2)[CH:27]([CH3:28])[CH3:29])[cH:30][cH:31][cH:32]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343694-Methoxycarbonylphenylboronic acidHCID 672999233-bromo-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

Product 1

HCID 76725526Methyl 4-[3-[[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]benzoate

Sources & evidence

ORD record
ord-efd72e152f684659a4a8ee39f48e5b8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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