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

HRID 309702Notes

Reaction equation

HRID 309702 reaction equation
[CH3:35][CH2:36][CH2:37][CH2:38][N:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][C:49]([N:50]([CH3:51])[CH3:52])=[O:53].[CH:16](=[CH2:17])[c:18]1[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH:27][c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[CH3:34])[cH:22][cH:23]1.[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH:8]([CH3:9])[CH3:10])[cH:11][c:12]([I:15])[cH:13][cH:14]1.[Pd+2:54]>>[OH:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH:8]([CH3:9])[CH3:10])[cH:11][c:12]([CH:17]=[CH:16][c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH:27][c:28]3[n:29][cH:30][cH:31][cH:32][c:33]3[CH3:34])[cH:22][cH:23]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 7622TributylamineHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 194233654-Ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamideHCID 19423370Isobutyl 2-hydroxy-5-iodobenzoate

Product 1

HCID 54356729Isobutyl 2-hydroxy-5-[2-[4-[(3-methyl-2-pyridinylamino)sulfonyl]phenyl]ethenyl]benzoate

Sources & evidence

ORD record
ord-560ebfebd70847c9b6da1eaa629f8cde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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