Ethanol → Ethyl 1-[[4-[3-(2-pyridin-3-ylethenyl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate

HRID 2146249Notes

Reaction equation

HRID 2146249 reaction equation
[Ba+2:49].[CH3:41][CH2:42][OH:43].[Pd+2:50].[S:44]([O-:45])([O-:46])(=[O:47])=[O:48].[S:51]([O-:52])([O-:53])(=[O:54])=[O:55].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1.[n:1]1[cH:2][c:3]([C:7]#[C:8][c:9]2[cH:10][c:11](-[c:19]3[n:20][c:21]([CH2:24][n:25]4[n:26][cH:27][c:28]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:29]4)[s:22][cH:23]3)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH:7]=[CH:8][c:9]2[cH:10][c:11](-[c:19]3[n:20][c:21]([CH2:24][n:25]4[n:26][cH:27][c:28]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:29]4)[s:22][cH:23]3)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 702EthanolHCID 1049PyridineHCID 1117Sulfate Ion2×HCID 104810Barium ionHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 66939083ethyl 1-({4-[3-(pyridin-3-ylethynyl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylate

Product 1

HCID 66939319Ethyl 1-[[4-[3-(2-pyridin-3-ylethenyl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate

Sources & evidence

ORD record
ord-93b147964542407ea7691563a41e4fb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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