Acetate → 3-(1-phenylsulfonyl-4-oct-1-enyl-1H-pyrazol-3-yl)-pyridine

HRID 157614Notes

Reaction equation

HRID 157614 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:29](=[CH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[B:37]([OH:38])[OH:39].[K+:45].[K+:46].[K+:47].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[Pd+2:54].[c:8]1([S:14](=[O:15])(=[O:16])[n:17]2[n:18][c:19](-[c:23]3[cH:24][n:25][cH:26][cH:27][cH:28]3)[c:20]([Br:22])[cH:21]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[c:8]1([S:14](=[O:15])(=[O:16])[n:17]2[n:18][c:19](-[c:23]3[cH:24][n:25][cH:26][cH:27][cH:28]3)[c:20]([CH:29]=[CH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:21]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2773557Oct-1-enylboronic acidHCID 575480773-(1-Phenylsulfonyl-4-bromo-1H-pyrazol-3-yl)-pyridine

Product 1

HCID 672842033-(1-phenylsulfonyl-4-oct-1-enyl-1H-pyrazol-3-yl)-pyridine

Sources & evidence

ORD record
ord-7ed5bb478610477088981f5fde757b17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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