Acetate → Acetic acid 6-(4-methanesulfonyl-3-methoxy-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-yl ester

HRID 318749Notes

Reaction equation

HRID 318749 reaction equation
[CH3:58][S:59](=[O:60])(=[O:61])[c:62]1[c:63]([O:76][CH3:77])[cH:64][c:65]([O:68][S:69]([C:70]([F:71])([F:72])[F:73])(=[O:74])=[O:75])[cH:66][cH:67]1.[CH3:79][C:80]#[N:81].[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.[N:20]1([CH2:26][CH2:27][O:28][c:29]2[cH:30][cH:31][c:32]([O:33][c:34]3[c:35]4[cH:36][cH:37][c:38]([O:52][C:53]([CH3:54])=[O:55])[cH:39][c:40]4[cH:41][cH:42][c:43]3[O:44][S:45]([C:46]([F:47])([F:48])[F:49])(=[O:50])=[O:51])[cH:56][cH:57]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[OH2:78].[Pd+2:82]>>[N:20]1([CH2:26][CH2:27][O:28][c:29]2[cH:30][cH:31][c:32]([O:33][c:34]3[c:35]4[cH:36][cH:37][c:38]([O:52][C:53]([CH3:54])=[O:55])[cH:39][c:40]4[cH:41][cH:42][c:43]3-[c:65]3[cH:64][c:63]([O:76][CH3:77])[c:62]([S:59]([CH3:58])(=[O:60])=[O:61])[cH:67][cH:66]3)[cH:56][cH:57]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 6342AcetonitrileHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 583385445-(4-(2-(Piperidin-1-yl)ethoxy)phenoxy)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl acetateHCID 86607165Trifluoro-methanesulfonic acid 4-methanesulfonyl-3-methoxy-phenyl ester

Product 1

HCID 59751425Acetic acid 6-(4-methanesulfonyl-3-methoxy-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-yl ester

Sources & evidence

ORD record
ord-d4fa4d0c5181449494e2a14406cb06d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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