Acetate → [6-Fluoro-3-methyl-4-(4-methyl-benzyl)-naphthalen-2-yl]-acetic acid methyl ester

HRID 313769Notes

Reaction equation

HRID 313769 reaction equation
[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]2[cH:8][cH:9][c:10]([F:24])[cH:11][c:12]2[c:13]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[c:14]1[CH3:15])=[O:25].[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([CH2:34][c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[O:42]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH3:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([O:59][CH3:60])[cH:61][cH:62][cH:63][c:64]2[O:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[K+:77].[K+:78].[K+:79].[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[OH2:95].[P:72]([O-:73])([O-:74])([O-:75])=[O:76].[Pd+2:86]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]2[cH:8][cH:9][c:10]([F:24])[cH:11][c:12]2[c:13]([CH2:34][c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:14]1[CH3:15])=[O:25]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 162181494,4,5,5-Tetramethyl-2-(4-methylbenzyl)-1,3,2-dioxaborolaneHCID 59326772(6-Fluoro-3-methyl-4-trifluoromethanesulfonyloxy-naphthalen-2-yl)-acetic acid methyl ester

Product 1

HCID 59350825[6-Fluoro-3-methyl-4-(4-methyl-benzyl)-naphthalen-2-yl]-acetic acid methyl ester

Sources & evidence

ORD record
ord-ef1c6cba799a4cd09c7ee7b5a65baf6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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