Acetate → N-(3,5-Bis-trifluoromethyl-benzyl)-6-[3-(4-methoxy-phenyl)-propyl]-N-methyl-4-o-tolyl-nicotinamide

HRID 2160665Notes

Reaction equation

HRID 2160665 reaction equation
[CH2:1]([CH:2]=[CH2:3])[c:4]1[cH:5][cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1.[CH3:101][O:102][C:103]([CH3:104])([CH3:105])[CH3:106].[CH3:21][O-:22].[CH:12]12[CH2:13][CH2:14][CH2:15][CH:16]([BH:17]1)[CH2:18][CH2:19][CH2:20]2.[CH:58]([c:59]1[cH:60][cH:61][cH:62][c:63]([CH:64]([CH3:65])[CH3:66])[c:67]1-[n+:68]1[cH:69][cH:70][n:71](-[c:72]2[c:73]([CH:74]([CH3:75])[CH3:76])[cH:77][cH:78][cH:79][c:80]2[CH:81]([CH3:82])[CH3:83])[cH:84]1)([CH3:85])[CH3:86].[Cl-:57].[F:24][C:25]([c:26]1[cH:27][c:28]([CH2:29][N:30]([C:31]([c:32]2[cH:33][n:34][c:35]([I:45])[cH:36][c:37]2-[c:38]2[c:39]([CH3:44])[cH:40][cH:41][cH:42][cH:43]2)=[O:46])[CH3:47])[cH:48][c:49]([C:51]([F:52])([F:53])[F:54])[cH:50]1)([F:55])[F:56].[K+:23].[O-:93][C:94]([CH3:95])=[O:96].[O-:97][C:98]([CH3:99])=[O:100].[O:87]1[CH2:88][CH2:89][CH2:90][CH2:91]1.[Pd+2:92]>>[CH2:1]([CH2:2][CH2:3][c:35]1[n:34][cH:33][c:32]([C:31]([N:30]([CH2:29][c:28]2[cH:27][c:26]([C:25]([F:24])([F:55])[F:56])[cH:50][c:49]([C:51]([F:52])([F:53])[F:54])[cH:48]2)[CH3:47])=[O:46])[c:37](-[c:38]2[c:39]([CH3:44])[cH:40][cH:41][cH:42][cH:43]2)[cH:36]1)[c:4]1[cH:5][cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 312ChlorideHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8815EstragoleHCID 15413tert-Butyl methyl etherHCID 789669-Borabicyclo(3.3.1)nonaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27349141,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-iumHCID 3826051MethoxideHCID 10231844HCID 10231844, compound

Product 1

HCID 23502832N-(3,5-Bis-trifluoromethyl-benzyl)-6-[3-(4-methoxy-phenyl)-propyl]-N-methyl-4-o-tolyl-nicotinamide

Sources & evidence

ORD record
ord-5fd040d59ee64c2790f54a6ac9634604
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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