Acetate → Methyl [3,5-bis(trifluoromethyl)benzyl][(5'-isopropyl-2'-methoxy-4-pyridin-3-ylbiphenyl-2-yl)methyl]carbamate

HRID 662788Notes

Reaction equation

HRID 662788 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH3:65][C:66]([CH3:67])=[O:68].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([O:9][CH3:10])=[O:11])[CH2:12][c:13]2[c:14](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:15][cH:16][c:17]([I:19])[cH:18]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39].[K+:44].[K+:45].[OH2:64].[Pd+2:59].[n:46]1[cH:47][c:48]([B:52]([OH:53])[OH:54])[cH:49][cH:50][cH:51]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([O:9][CH3:10])=[O:11])[CH2:12][c:13]2[c:14](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:15][cH:16][c:17](-[c:48]3[cH:47][n:46][cH:51][cH:50][cH:49]3)[cH:18]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343783-Pyridinylboronic acidHCID 11527580Methyl [3,5-bis(trifluoromethyl)benzyl][(4-iodo-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamate

Product 1

HCID 11527369Methyl [3,5-bis(trifluoromethyl)benzyl][(5'-isopropyl-2'-methoxy-4-pyridin-3-ylbiphenyl-2-yl)methyl]carbamate

Sources & evidence

ORD record
ord-b96f05540a524068a3a8b186802741f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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