Acetate → HCID 67065180, compound

HRID 285411Notes

Reaction equation

HRID 285411 reaction equation
[C:104]([O-:105])(=[O:106])[CH3:107].[C:87](=[O:88])([OH:89])[O-:90].[C:99]([O-:100])(=[O:101])[CH3:102].[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].[CH3:50][c:51]1[cH:52][c:53]([C:67]([CH2:68][CH3:69])([CH2:70][CH3:71])[c:72]2[cH:73][c:74]([CH3:86])[c:75]([CH:78]=[CH:79][C:80]([CH2:81][CH3:82])([OH:83])[CH2:84][CH3:85])[cH:76][cH:77]2)[cH:54][c:55]([CH3:66])[c:56]1[B:57]1[O:58][C:59]([CH3:60])([CH3:61])[C:62]([CH3:63])([CH3:64])[O:65]1.[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]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+:91].[OH2:108].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:103]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:56]2[c:51]([CH3:50])[cH:52][c:53]([C:67]([CH2:68][CH3:69])([CH2:70][CH3:71])[c:72]3[cH:73][c:74]([CH3:86])[c:75]([CH:78]=[CH:79][C:80]([CH2:81][CH3:82])([OH:83])[CH2:84][CH3:85])[cH:76][cH:77]3)[cH:54][c:55]2[CH3:66])[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 67065087HCID 67065087, compound

Product 1

HCID 67065180HCID 67065180, compound

Sources & evidence

ORD record
ord-bd67ae57c6bf41f3b51b87a842c6465e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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