Acetate → HCID 178526511, compound

HRID 209385Notes

Reaction equation

HRID 209385 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:18](=[O:19])[O-:20])[c:5]([NH:8][CH:9]2[CH2:10][CH:11]3[CH2:12][O:13][CH2:14][CH2:15][N:16]3[CH2:17]2)[cH:6][cH:7]1.[CH3:67][O-:68].[CH3:70][OH:71].[F:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([cH:47]1)[O:27][CH2:28][c:29]1[c:30]([cH:42][cH:43][cH:44][c:45]1[F:46])[C:31]2=[CH:32][B:33]1[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]1.[Na+:69].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[Pd+2:77].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:2]1([CH:32]=[C:31]2[c:25]3[cH:24][cH:23][c:22]([F:21])[cH:47][c:26]3[O:27][CH2:28][c:29]3[c:30]2[cH:42][cH:43][cH:44][c:45]3[F:46])[cH:3][c:4]([N+:18](=[O:19])[O-:20])[c:5]([NH:8][CH:9]2[CH2:10][CH:11]3[CH2:12][O:13][CH2:14][CH2:15][N:16]3[CH2:17]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 3826051MethoxideHCID 57748764HCID 57748764, compoundHCID 67335789HCID 67335789, compound

Product 1

HCID 178526511HCID 178526511, compound

Sources & evidence

ORD record
ord-5958eee012644920a61e4b56a9c7d7d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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