Acetate → Methyl 4'-[4-(trans-4-cyclohexylcyclohexyl)-1-piperazinyl]-1,1'-biphenyl-4-carboxylate

HRID 2322684Notes

Reaction equation

HRID 2322684 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[CH:77]1([CH:83]2[CH2:84][CH2:85][CH:86]([N:89]3[CH2:90][CH2:91][NH:92][CH2:93][CH2:94]3)[CH2:87][CH2:88]2)[CH2:78][CH2:79][CH2:80][CH2:81][CH2:82]1.[Cl:111][CH2:112][Cl:113].[Cs+:5].[Cs+:6].[F:53][C:54]([F:55])([F:56])[S:57]([O:58][c:59]1[cH:60][cH:61][c:62](-[c:65]2[cH:66][cH:67][c:68]([C:71](=[O:72])[O:73][CH3:74])[cH:69][cH:70]2)[cH:63][cH:64]1)(=[O:75])=[O:76].[O-:103][C:104]([CH3:105])=[O:106].[O-:107][C:108]([CH3:109])=[O:110].[OH2:114].[Pd+2:102].[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>>[c:59]1([N:92]2[CH2:91][CH2:90][N:89]([CH:86]3[CH2:85][CH2:84][CH:83]([CH:77]4[CH2:78][CH2:79][CH2:80][CH2:81][CH2:82]4)[CH2:88][CH2:87]3)[CH2:94][CH2:93]2)[cH:60][cH:61][c:62](-[c:65]2[cH:66][cH:67][c:68]([C:71](=[O:72])[O:73][CH3:74])[cH:69][cH:70]2)[cH:63][cH:64]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 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 224929211-(trans-4-Cyclohexylcyclohexyl)piperazine

Product 1

HCID 22493003Methyl 4'-[4-(trans-4-cyclohexylcyclohexyl)-1-piperazinyl]-1,1'-biphenyl-4-carboxylate

Sources & evidence

ORD record
ord-8d32e3fd5cee41a68bf21e63e5b9944a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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