Acetate → [2-(Phenylsulfonyl)ethenyl]-4-ethoxybenzene

HRID 2338867Notes

Reaction equation

HRID 2338867 reaction equation
[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH3:13][S:14]([O:15][S:16]([CH3:17])(=[O:18])=[O:19])(=[O:20])=[O:21].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:70][C:71]#[N:72].[I:29][c:30]1[cH:31][cH:32][c:33]([O:36][CH2:37][CH3:38])[cH:34][cH:35]1.[Pd+2:65].[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][c:45]1[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[CH3:60]>>[c:1]1([S:7](=[O:8])(=[O:9])[CH:10]=[CH:11][c:30]2[cH:31][cH:32][c:33]([O:36][CH2:37][CH3:38])[cH:34][cH:35]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 302022-(Phenylsulfonyl)ethanolHCID 80271Tri-o-tolylphosphineHCID 81560Methanesulfonic anhydrideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2207001-Ethoxy-4-iodobenzene

Product 1

HCID 70222494[2-(Phenylsulfonyl)ethenyl]-4-ethoxybenzene

Sources & evidence

ORD record
ord-a8814fda5f4c4faebed8b0b374e0fd21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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