Acetate → Ethyl 1-[4-[4-[4-[1-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-enyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

HRID 147972

Reaction equation

HRID 147972 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH:27]([CH2:28][CH:29]=[CH2:30])[OH:31])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[Cs+:47].[Cs+:48].[I:32][c:33]1[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1.[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[Pd+2:49]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH:27]([CH2:28][CH:29]=[CH:30][c:33]5[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]5)[OH:31])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 19660Carbonate IonHCID 67993Benzene, 1-iodo-4-(trifluoromethyl)-HCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 665774001-{4'-[4-(1-Hydroxy-but-3-enyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

Product 1

HCID 67092634Ethyl 1-[4-[4-[4-[1-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-enyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-7f90a3db92e745fa9a242dacb7b242a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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