Acetate → Methyl 4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-phenylthiophene-2-carboxylate

HRID 696667Notes

Reaction equation

HRID 696667 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([Br:20])[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[F-:30].[K+:31].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[Pd+2:53].[c:21]1([B:27]([OH:28])[OH:29])[cH:22][cH:23][cH:24][cH:25][cH:26]1.[c:32]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][c:43]1[P:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium CationHCID 28179Fluoride IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 17759316Methyl 4,5-dibromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

Product 1

HCID 57640836Methyl 4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-phenylthiophene-2-carboxylate

Sources & evidence

ORD record
ord-189125db5918430cae4cf152277e8c23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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