Acetate → Methyl 5-cyclopropyl-1-(phenylsulfonyl)-1H-pyrrole-3-carboxylate

HRID 1554474Notes

Reaction equation

HRID 1554474 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:16](=[O:17])[O:18][CH3:19])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:20]1([B:23]([OH:24])[OH:25])[CH2:21][CH2:22]1.[CH:26]1([P:27]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[K+:50].[K+:51].[K+:52].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[OH2:60].[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[Pd+2:61]>>[c:2]1([CH:20]2[CH2:21][CH2:22]2)[cH:3][c:4]([C:16](=[O:17])[O:18][CH3:19])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 66924623methyl 5-bromo-1-(phenylsulfonyl)-1H-pyrrole-3-carboxylate

Product 1

HCID 66924740Methyl 5-cyclopropyl-1-(phenylsulfonyl)-1H-pyrrole-3-carboxylate

Sources & evidence

ORD record
ord-69178a6bf0b6476c9d7694f4093dd25b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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