Potassium Cation → [4'-(1-{4-[3-(t-butyl-dimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2'-methyl-biphenyl-3-yl]-acetic Acid Methyl Ester

HRID 286754Notes

Reaction equation

HRID 286754 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][c:10]1[c:11]([CH3:37])[cH:12][c:13]([C:16]([CH2:17][CH3:18])([CH2:19][CH3:20])[c:21]2[cH:22][c:23]([CH3:36])[c:24]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[cH:25][cH:26]2)[cH:14][cH:15]1)[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])[CH3:43].[CH3:141][N:142]([CH3:143])[CH:144]=[O:145].[CH3:44][O:45][C:46]([CH2:47][c:48]1[cH:49][c:50]([Br:54])[cH:51][cH:52][cH:53]1)=[O:55].[K+:61].[K+:62].[K+:63].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][c:10]1[c:11]([CH3:37])[cH:12][c:13]([C:16]([CH2:17][CH3:18])([CH2:19][CH3:20])[c:21]2[cH:22][c:23]([CH3:36])[c:24](-[c:50]3[cH:49][c:48]([CH2:47][C:46]([O:45][CH3:44])=[O:55])[cH:53][cH:52][cH:51]3)[cH:25][cH:26]2)[cH:14][cH:15]1)[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])[CH3:43]

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 11746402Methyl 2-(3-bromophenyl)acetateHCID 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]dioxaborolaneHCID 178420554HCID 178420554, compound

Product 1

HCID 57708909[4'-(1-{4-[3-(t-butyl-dimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2'-methyl-biphenyl-3-yl]-acetic Acid Methyl Ester

Sources & evidence

ORD record
ord-7a1787bf859046f1a7e778f811f1283d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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