Acetate → Methyl 4-[4-[4-[4-(2,6-dimethylmorpholin-4-yl)phenyl]piperazin-1-yl]phenyl]benzoate

HRID 106639Notes

Reaction equation

HRID 106639 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:53][CH:54]1[O:55][CH:56]([CH3:72])[CH2:57][N:58]([c:60]2[cH:61][cH:62][c:63]([N:66]3[CH2:67][CH2:68][NH:69][CH2:70][CH2:71]3)[cH:64][cH:65]2)[CH2:59]1.[CH3:73][O:74][C:75](=[O:76])[c:77]1[cH:78][cH:79][c:80](-[c:83]2[cH:84][cH:85][c:86]([O:89][S:90]([C:91]([F:92])([F:93])[F:94])(=[O:95])=[O:96])[cH:87][cH:88]2)[cH:81][cH:82]1.[Cs+:5].[Cs+:6].[O-:104][C:105]([CH3:106])=[O:107].[O-:108][C:109]([CH3:110])=[O:111].[O:97]1[CH2:98][CH2:99][O:100][CH2:101][CH2:102]1.[OH2:112].[Pd+2:103].[c:7]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:20][cH:21][cH:22][cH:23]3)[c:24]2-[c:25]2[c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33][c:34]2[P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:53][CH:54]1[O:55][CH:56]([CH3:72])[CH2:57][N:58]([c:60]2[cH:61][cH:62][c:63]([N:66]3[CH2:67][CH2:68][N:69]([c:86]4[cH:85][cH:84][c:83](-[c:80]5[cH:79][cH:78][c:77]([C:75]([O:74][CH3:73])=[O:76])[cH:82][cH:81]5)[cH:88][cH:87]4)[CH2:70][CH2:71]3)[cH:64][cH:65]2)[CH2:59]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 22492882Methyl 4'-(trifluoromethanesulfonyloxy)-[1,1'-biphenyl]-4-carboxylateHCID 571791102,6-Dimethyl-4-(4-piperazin-1-ylphenyl)morpholine

Product 1

HCID 56977257Methyl 4-[4-[4-[4-(2,6-dimethylmorpholin-4-yl)phenyl]piperazin-1-yl]phenyl]benzoate

Sources & evidence

ORD record
ord-e35488dd42a84854aeb0e7eb590ccf71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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