Acetate → HCID 57709058, compound

HRID 673823Notes

Reaction equation

HRID 673823 reaction equation
[C:100]([O-:101])(=[O:102])[CH3:103].[C:105]([O-:106])(=[O:107])[CH3:108].[CH2:51]([CH3:52])[C:53]([CH2:54][CH3:55])([c:56]1[cH:57][c:58]([CH3:75])[c:59]([C:62]#[C:63][C:64]2([O:70][Si:71]([CH3:72])([CH3:73])[CH3:74])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]2)[cH:60][cH:61]1)[c:76]1[cH:77][c:78]([CH3:91])[c:79]([B:82]2[O:83][C:84]([CH3:85])([CH3:86])[C:87]([CH3:88])([CH3:89])[O:90]2)[cH:80][cH:81]1.[CH3:38][O:39][C:40]([CH2:41][c:42]1[c:43]([F:49])[cH:44][c:45]([Cl:48])[cH:46][cH:47]1)=[O:50].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[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.[K+:35].[K+:36].[K+:37].[OH2:92].[P:30]([O-:31])([O-:32])([O-:33])=[O:34].[Pd+2:104]>>[CH3:38][O:39][C:40]([CH2:41][c:42]1[c:43]([F:49])[cH:44][c:45](-[c:79]2[c:78]([CH3:91])[cH:77][c:76]([C:53]([CH2:51][CH3:52])([CH2:54][CH3:55])[c:56]3[cH:57][c:58]([CH3:75])[c:59]([C:62]#[C:63][C:64]4([O:70][Si:71]([CH3:72])([CH3:73])[CH3:74])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]4)[cH:60][cH:61]3)[cH:81][cH:80]2)[cH:46][cH:47]1)=[O:50]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 57443493Methyl 2-(4-chloro-2-fluorophenyl)acetateHCID 57708933HCID 57708933, compound

Product 1

HCID 57709058HCID 57709058, compound

Sources & evidence

ORD record
ord-4d2502d26669430d824f088479f64b17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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