Acetate → 4-Methyl-2-[5-(2-propyl-piperidin-1-yl)-4'-trifluoromethyl-biphenyl-3-yl]-pentanoic acid ethyl ester

HRID 1215749Notes

Reaction equation

HRID 1215749 reaction equation
[BrH:35].[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12](-[c:24]2[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:13][c:14]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[cH:15]1)=[O:34].[CH2:36]([CH2:37][CH3:38])[CH:39]1[NH:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Na+:50].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[Pd+2:58]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12](-[c:24]2[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:13][c:14]([N:40]2[CH:39]([CH2:36][CH2:37][CH3:38])[CH2:44][CH2:43][CH2:42][CH2:41]2)[cH:15]1)=[O:34]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 260Hydrogen BromideHCID 923Sodium ionHCID 1140TolueneHCID 99852-PropylpiperidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 577550554-Methyl-2-(5-trifluoromethanesulfonyloxy-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acid ethyl ester

Product 1

HCID 576659754-Methyl-2-[5-(2-propyl-piperidin-1-yl)-4'-trifluoromethyl-biphenyl-3-yl]-pentanoic acid ethyl ester

Sources & evidence

ORD record
ord-d1e71c4e6333421581384021e2e5f090
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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