Acetic Acid → Methyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(1-phenyl-8-azabicyclo[3.2.1]octan-2-yl)oxy]acetate

HRID 1220108Notes

Reaction equation

HRID 1220108 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:10]([O:16][CH:17]([c:18]3[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[C:32](=[O:33])[O:34][CH3:35])[CH2:11][CH2:12][CH:13]1[CH2:14][CH2:15]2.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][C:49](=[O:50])[OH:51].[OH-:52].[OH-:54].[Pd+2:53]>>[NH:8]1[C:9]2([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:10]([O:16][CH:17]([c:18]3[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[C:32](=[O:33])[O:34][CH3:35])[CH2:11][CH2:12][CH:13]1[CH2:14][CH2:15]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 961Hydroxide2×HCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 88040453Methyl 2-[(8-benzyl-1-phenyl-8-azabicyclo[3.2.1]octan-2-yl)oxy]-2-[3,5-bis(trifluoromethyl)phenyl]acetate

Product 1

HCID 88038990Methyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(1-phenyl-8-azabicyclo[3.2.1]octan-2-yl)oxy]acetate

Sources & evidence

ORD record
ord-3ed67ac3aad342188fb4ef999f84ad5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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