Acetate → 1-(2-{4-[6-Benzyloxy-2-(4-trifluoromethanesulfonyl-phenyl)-benzo[b]thiophen-3-yloxy]-phenoxy}-ethyl)-piperidine

HRID 2161295Notes

Reaction equation

HRID 2161295 reaction equation
[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][c:28]1[cH:29][cH:30][c:31]2[c:32]([s:33][c:34]([Br:52])[c:35]2[O:36][c:37]2[cH:38][cH:39][c:40]([O:41][CH2:42][CH2:43][N:44]3[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]3)[cH:50][cH:51]2)[cH:53]1.[CH3:54][C:55]1([CH3:56])[C:57]([CH3:58])([CH3:59])[O:60][B:61]([c:62]2[cH:63][cH:64][c:65]([S:68](=[O:69])(=[O:70])[C:71]([F:72])([F:73])[F:74])[cH:66][cH:67]2)[O:75]1.[CH3:78][C:79]#[N:80].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cs+:77].[F-:76].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[Pd+2:81]>>[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][c:28]1[cH:29][cH:30][c:31]2[c:32]([s:33][c:34](-[c:62]3[cH:63][cH:64][c:65]([S:68](=[O:69])(=[O:70])[C:71]([F:72])([F:73])[F:74])[cH:66][cH:67]3)[c:35]2[O:36][c:37]2[cH:38][cH:39][c:40]([O:41][CH2:42][CH2:43][N:44]3[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]3)[cH:50][cH:51]2)[cH:53]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6342AcetonitrileHCID 28179Fluoride IonHCID 75806TricyclohexylphosphineHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 673973674,4,5,5-Tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolaneHCID 690745451-{2-[4-(6-Benzyloxy-2-bromo-benzo[b]thiophen-3-yloxy)-phenoxy]-ethyl}-piperidine

Product 1

HCID 597514351-(2-{4-[6-Benzyloxy-2-(4-trifluoromethanesulfonyl-phenyl)-benzo[b]thiophen-3-yloxy]-phenoxy}-ethyl)-piperidine

Sources & evidence

ORD record
ord-d158e1a9e29d44e0857b97ca6bf7d60e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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