Acetate → HCID 57709083, compound

HRID 203588Notes

Reaction equation

HRID 203588 reaction equation
[C:103]([O-:104])(=[O:105])[CH3:106].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][c:57]([CH3:74])[c:58]([C:61]#[C:62][C:63]2([O:69][Si:70]([CH3:71])([CH3:72])[CH3:73])[CH2:64][CH2:65][S:66][CH2:67][CH2:68]2)[cH:59][cH:60]1)[c:75]1[cH:76][c:77]([CH3:90])[c:78]([B:81]2[O:82][C:83]([CH3:84])([CH3:85])[C:86]([CH3:87])([CH3:88])[O:89]2)[cH:79][cH:80]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9]([Br:11])[cH:10]1)=[O:12].[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([O:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[K+:47].[K+:48].[K+:49].[OH2:107].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:102]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:78]2[c:77]([CH3:90])[cH:76][c:75]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:55]3[cH:56][c:57]([CH3:74])[c:58]([C:61]#[C:62][C:63]4([O:69][Si:70]([CH3:71])([CH3:72])[CH3:73])[CH2:64][CH2:65][S:66][CH2:67][CH2:68]4)[cH:59][cH:60]3)[cH:80][cH:79]2)[cH:10]1)=[O:12]

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 23398394Methyl 2-(5-bromopyridin-3-yl)acetateHCID 57709123HCID 57709123, compound

Product 1

HCID 57709083HCID 57709083, compound

Sources & evidence

ORD record
ord-d3c1b74ad4944f99ac08d75b48d2cb56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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