Acetate → 3-[2-Chloro-4-(3-fluoro-2-methyl-phenylamino)-benzoyl]-4-methyl-benzoic acid methyl ester

HRID 150356Notes

Reaction equation

HRID 150356 reaction equation
[Br:1][c:2]1[c:3]([CH3:9])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[C:65](=[O:66])([O-:67])[O-:68].[CH2:71]1[O:72][CH2:73][CH2:74][O:75][CH2:76]1.[CH3:10][O:11][C:12]([c:13]1[cH:14][c:15]([C:20]([c:21]2[c:22]([Cl:28])[cH:23][c:24]([NH2:27])[cH:25][cH:26]2)=[O:29])[c:16]([CH3:19])[cH:17][cH:18]1)=[O:30].[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[c:46]([CH:47]([CH3:48])[CH3:49])[cH:50][c:51]([CH:52]([CH3:53])[CH3:54])[cH:55][c:56]2[CH:57]([CH3:58])[CH3:59])[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[Cs+:69].[Cs+:70].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[Pd+2:77]>>[c:2]1([NH:27][c:24]2[cH:23][c:22]([Cl:28])[c:21]([C:20]([c:15]3[cH:14][c:13]([C:12]([O:11][CH3:10])=[O:30])[cH:18][cH:17][c:16]3[CH3:19])=[O:29])[cH:26][cH:25]2)[c:3]([CH3:9])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27363352-Bromo-6-fluorotolueneHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 673136853-(4-Amino-2-chlorobenzoyl)-4-methylbenzoic acid methyl ester

Product 1

HCID 673142013-[2-Chloro-4-(3-fluoro-2-methyl-phenylamino)-benzoyl]-4-methyl-benzoic acid methyl ester

Sources & evidence

ORD record
ord-f139fd094b0a42079743619f92297928
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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