Acetate → Methyl 2'-chloro-4-(2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)biphenyl-2-carboxylate

HRID 301551Notes

Reaction equation

HRID 301551 reaction equation
[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([O:17][CH3:18])[cH:19][cH:20][cH:21][c:22]2[O:23][CH3:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[Cl:30][c:31]1[c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][c:38](-[c:41]2[cH:42][cH:43][c:44]3[c:45]([c:46]([C:56]([NH:57][CH3:58])=[O:59])[c:47](-[c:49]4[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]4)[o:48]3)[cH:60]2)[cH:39][cH:40]1.[Cl:69][c:70]1[c:71]([B:76]([OH:77])[OH:78])[cH:72][cH:73][cH:74][cH:75]1.[K+:66].[K+:67].[K+:68].[O-:80][C:81]([CH3:82])=[O:83].[O-:84][C:85]([CH3:86])=[O:87].[O:89]1[CH2:90][CH2:91][O:92][CH2:93][CH2:94]1.[OH2:88].[P:61]([O-:62])([O-:63])([O-:64])=[O:65].[Pd+2:79]>>[c:31]1(-[c:71]2[c:70]([Cl:69])[cH:75][cH:74][cH:73][cH:72]2)[c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][c:38](-[c:41]2[cH:42][cH:43][c:44]3[c:45]([c:46]([C:56]([NH:57][CH3:58])=[O:59])[c:47](-[c:49]4[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]4)[o:48]3)[cH:60]2)[cH:39][cH:40]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343222-Chlorophenylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 59275297Methyl 2-chloro-5-(2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)benzoate

Product 1

HCID 59275458Methyl 2'-chloro-4-(2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)biphenyl-2-carboxylate

Sources & evidence

ORD record
ord-999dc757fcb948baaf521ea907f23268
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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