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

HRID 1569555Notes

Reaction equation

HRID 1569555 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:36][O:37][c:38]1[c:39]([B:45]([OH:46])[OH:47])[cH:40][c:41]([CH3:44])[cH:42][cH:43]1.[CH3:49][C:50]([CH3:51])=[O:52].[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[CH3:68][C:69]([CH3:70])=[O:71].[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]([Br:20])[cH:15][cH:16][c:17]([F:19])[cH:18]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29].[K+:34].[K+:35].[OH2:48].[Pd+2:57]>>[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:39]3[c:38]([O:37][CH3:36])[cH:43][cH:42][c:41]([CH3:44])[cH:40]3)[cH:15][cH:16][c:17]([F:19])[cH:18]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 180Acetone2×HCID 813Potassium Cation2×HCID 962WaterHCID 8058HexaneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2773485(2-Methoxy-5-methylphenyl)boronic acidHCID 86615391Methyl [3,5-bis(trifluoromethyl)benzyl](2-bromo-5-fluorobenzyl)carbamate

Product 1

HCID 11663709Methyl [3,5-bis(trifluoromethyl)benzyl][(4-fluoro-2'-methoxy-5'-methylbiphenyl-2-yl)methyl]carbamate

Sources & evidence

ORD record
ord-2fd674b8c5384668834e33a320c12c7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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