Acetate → Methyl 2-[3-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]-2-hydroxyacetate

HRID 89488Notes

Reaction equation

HRID 89488 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28]([B:31]3[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1.[CH3:102][CH2:103][O:104][CH2:105][CH3:106].[CH3:81][O:82][C:83]([CH:84]([OH:85])[c:86]1[cH:87][c:88]([Cl:92])[cH:89][cH:90][cH:91]1)=[O:93].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[CH:44]1([P:45]([CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2-[c:58]2[c:59]([O:60][CH3:61])[cH:62][cH:63][cH:64][c:65]2[O:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1.[K+:78].[K+:79].[K+:80].[O-:108][C:109]([CH3:110])=[O:111].[O-:112][C:113]([CH3:114])=[O:115].[OH2:101].[P:73]([O-:74])([O-:75])([O-:76])=[O:77].[Pd+2:107]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28](-[c:88]3[cH:87][c:86]([CH:84]([C:83]([O:82][CH3:81])=[O:93])[OH:85])[cH:91][cH:90][cH:89]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 3283Diethyl EtherHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 14916085Methyl 2-(3-chlorophenyl)-2-hydroxyacetateHCID 577089262-[4-(1-{4-[3-(t-Butyldimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2-methyl-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Product 1

HCID 57709133Methyl 2-[3-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]-2-hydroxyacetate

Sources & evidence

ORD record
ord-ae06c972415644b8a72b79a53df8bda8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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