Acetate → Ethyl 4-fluoro-2-hydroxy-5-[2-[4-[(3-methyl-2-pyridinylamino)-sulfonyl]phenyl]ethenyl]benzoate

HRID 2150481Notes

Reaction equation

HRID 2150481 reaction equation
[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][N:42]([CH3:43])[C:44](=[O:45])[CH3:46].[CH:1](=[CH2:2])[c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[CH3:19])[cH:7][cH:8]1.[CH:47]([Cl:48])([Cl:49])[Cl:50].[F:20][c:21]1[cH:22][c:23]([OH:33])[c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][c:31]1[I:32].[OH2:60].[Pd+2:55]>>[CH:1](=[CH:2][c:31]1[c:21]([F:20])[cH:22][c:23]([OH:33])[c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30]1)[c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[CH3:19])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6212ChloroformHCID 8471TriethylamineHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 194233654-Ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamideHCID 19423390HCID 19423390, compound

Product 1

HCID 70266222Ethyl 4-fluoro-2-hydroxy-5-[2-[4-[(3-methyl-2-pyridinylamino)-sulfonyl]phenyl]ethenyl]benzoate

Sources & evidence

ORD record
ord-177a65c38dcd4fcf9e24b78e08251071
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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