Potassium Cation → 1-[(2',6'-Difluoro-4'-methoxy-6-trifluoromethyl-biphenyl-3-carbonyl)-amino]-4-methyl-cyclohexanecarboxylic Acid Methyl Ester

HRID 318703Notes

Reaction equation

HRID 318703 reaction equation
[CH3:1][O:2][C:3](=[O:4])[C:5]1([NH:12][C:13]([c:14]2[cH:15][c:16]([Br:24])[c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)=[O:25])[CH2:6][CH2:7][CH:8]([CH3:11])[CH2:9][CH2:10]1.[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[O:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[P:60]([CH:61]2[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]2)[CH:67]2[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]2)[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1.[F:26][c:27]1[c:28]([B:36]([OH:37])[OH:38])[c:29]([F:35])[cH:30][c:31]([O:33][CH3:34])[cH:32]1.[K+:83].[K+:84].[K+:85].[P:78]([O-:79])([O-:80])([O-:81])=[O:82]>>[CH3:1][O:2][C:3](=[O:4])[C:5]1([NH:12][C:13]([c:14]2[cH:15][c:16](-[c:28]3[c:27]([F:26])[cH:32][c:31]([O:33][CH3:34])[cH:30][c:29]3[F:35])[c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)=[O:25])[CH2:6][CH2:7][CH:8]([CH3:11])[CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 4499096Bis(2-dicyclohexylphosphinophenyl)etherHCID 162174242,6-Difluoro-4-methoxybenzeneboronic acidHCID 671705141-(3-Bromo-4-trifluoromethyl-benzoylamino)-4-methyl-cyclohexanecarboxylic acid methyl ester

Product 1

HCID 671688001-[(2',6'-Difluoro-4'-methoxy-6-trifluoromethyl-biphenyl-3-carbonyl)-amino]-4-methyl-cyclohexanecarboxylic Acid Methyl Ester

Sources & evidence

ORD record
ord-c1036d76294944e2b0a69226695bc8db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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