Acetate → HCID 57708927, compound

HRID 2329844Notes

Reaction equation

HRID 2329844 reaction equation
[C:102]([O-:103])(=[O:104])[CH3:105].[C:107]([O-:108])(=[O:109])[CH3:110].[C:90](=[O:91])([OH:92])[O-:93].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][c:57]([CH3:73])[c:58]([C:61]#[C:62][C:63]([CH2:64][CH3:65])([O:66][Si:67]([CH3:68])([CH3:69])[CH3:70])[CH2:71][CH3:72])[cH:59][cH:60]1)[c:74]1[cH:75][c:76]([CH3:89])[c:77]([B:80]2[O:81][C:82]([CH3:83])([CH3:84])[C:85]([CH3:86])([CH3:87])[O:88]2)[cH:78][cH:79]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].[CH3:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]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].[Na+:94].[OH2:111].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:106]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:77]2[c:76]([CH3:89])[cH:75][c:74]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:55]3[cH:56][c:57]([CH3:73])[c:58]([C:61]#[C:62][C:63]([CH2:64][CH3:65])([O:66][Si:67]([CH3:68])([CH3:69])[CH3:70])[CH2:71][CH3:72])[cH:59][cH:60]3)[cH:79][cH:78]2)[cH:10]1)=[O:12]

Participants

12

Reactant 11

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 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 57709043HCID 57709043, compound

Product 1

HCID 57708927HCID 57708927, compound

Sources & evidence

ORD record
ord-aa994df5c57d4ab08749dd351bac1a61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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