Acetate → 5-Ethylsulfanyl-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester

HRID 702021Notes

Reaction equation

HRID 702021 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([Br:17])[cH:14][c:15]2[CH2:16]1.[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH2:24]([CH3:25])[SH:26].[CH3:18][C:19]([CH3:20])([O-:21])[CH3:22].[Na+:23].[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[Pd+2:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([S:26][CH2:24][CH3:25])[cH:14][c:15]2[CH2:16]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 6343EthanethiolHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 16102683N-Boc-5-bromoisoindoline

Product 1

HCID 577536005-Ethylsulfanyl-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-912f534a27894ca8911865a4565d4190
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…