Acetate → N-(1-(3-(3,5-difluorophenyl)-benzo[b]thiophen-2-yl)ethyl)-2-methylpropane-2-sulfinamide

HRID 1565893Notes

Reaction equation

HRID 1565893 reaction equation
[Br:49][c:50]1[c:51]2[c:52]([s:53][c:54]1[CH:55]([CH3:56])[NH:57][S:58](=[O:59])[C:60]([CH3:61])([CH3:62])[CH3:63])[cH:64][cH:65][cH:66][cH:67]2.[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:20]1([P:21]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2-[c:34]2[c:35]([O:36][CH3:37])[cH:38][cH:39][cH:40][c:41]2[O:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[F:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][c:6]([F:8])[cH:7]1.[K+:17].[K+:18].[K+:19].[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[P:12]([O-:13])([O-:14])([O-:15])=[O:16].[Pd+2:75]>>[F:1][c:2]1[cH:3][c:4](-[c:50]2[c:51]3[c:52]([s:53][c:54]2[CH:55]([CH3:56])[NH:57][S:58](=[O:59])[C:60]([CH3:61])([CH3:62])[CH3:63])[cH:64][cH:65][cH:66][cH:67]3)[cH:5][c:6]([F:8])[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734338(3,5-Difluorophenyl)boronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 58459232N-(1-(3-bromobenzo[b]thiophen-2-yl)ethyl)-2-methylpropane-2-sulfinamide

Product 1

HCID 58459329N-(1-(3-(3,5-difluorophenyl)-benzo[b]thiophen-2-yl)ethyl)-2-methylpropane-2-sulfinamide

Sources & evidence

ORD record
ord-efdaf9b6bac84acc83fed5011a7322e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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