Acetate → HCID 21069972, compound

HRID 2342524Notes

Reaction equation

HRID 2342524 reaction equation
[CH3:68][C:69]#[N:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[F:1][c:2]1[cH:3][c:4]([I:33])[c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:17]([c:18](=[O:28])[c:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:16][CH2:15][O:14][C:13]3([CH3:29])[CH3:30])[cH:31][cH:32]1.[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[P:62]([O:63][CH3:64])([O:65][CH3:66])[O-:67].[Pd+2:77].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[F:1][c:2]1[cH:3][c:4]([P:62]([O:63][CH3:64])(=[O:65])[OH:67])[c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:17]([c:18](=[O:28])[c:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:16][CH2:15][O:14][C:13]3([CH3:29])[CH3:30])[cH:31][cH:32]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21070019N-(4-fluoro-2-iodobenzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamideHCID 21884954Dimethylphosphite

Product 1

HCID 21069972HCID 21069972, compound

Sources & evidence

ORD record
ord-c188a7046aae47a5b05820754c3e7411
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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