Acetate → Methyl 2-[(2,6-dichlorobenzoyl)amino]-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate

HRID 670071Notes

Reaction equation

HRID 670071 reaction equation
[C:57](=[O:58])([O-:59])[O-:60].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22].[CH3:23][O:24][C:25]([CH:26]([CH2:27][CH:28]=[CH2:29])[NH:30][C:31]([c:32]1[c:33]([Cl:39])[cH:34][cH:35][cH:36][c:37]1[Cl:38])=[O:40])=[O:41].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[I:42][c:43]1[cH:44][cH:45][c:46]([N:49]([c:50]2[n:51][cH:52][cH:53][cH:54][n:55]2)[CH3:56])[cH:47][cH:48]1.[K+:61].[K+:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[Pd+2:72]>>[CH3:23][O:24][C:25]([CH:26]([CH2:27][CH:28]=[CH:29][c:43]1[cH:44][cH:45][c:46]([N:49]([c:50]2[n:51][cH:52][cH:53][cH:54][n:55]2)[CH3:56])[cH:47][cH:48]1)[NH:30][C:31]([c:32]1[c:33]([Cl:39])[cH:34][cH:35][cH:36][c:37]1[Cl:38])=[O:40])=[O:41]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 46184395N-(4-iodophenyl)-N-methylpyrimidin-2-amineHCID 577625182-(2,6-Dichlorobenzamido)pent-4-enoic acid methyl ester

Product 1

HCID 66911991Methyl 2-[(2,6-dichlorobenzoyl)amino]-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate

Sources & evidence

ORD record
ord-2351271f799a4d3cb16d95f562c433bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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