Acetate → 3-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenyl}-acrylic acid ethyl ester

HRID 1125822Notes

Reaction equation

HRID 1125822 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:31])[c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[C:13](=[O:14])[N:15]2[CH2:16][CH2:17][N:18]([CH:25]3[CH2:26][CH2:27]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)[cH:28][c:29]1[Cl:30].[C:41]([CH:42]=[CH2:43])(=[O:44])[O:45][CH2:46][CH3:47].[C:70](#[N:71])[CH2:72][CH3:73].[CH2:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39])[CH3:40].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[Pd+2:74].[c:48]1([CH3:49])[cH:50][cH:51][cH:52][cH:53][c:54]1[P:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][c:61]1[CH3:62])[c:63]1[cH:64][cH:65][cH:66][cH:67][c:68]1[CH3:69]>>[c:2]1([CH:43]=[CH:42][C:41](=[O:44])[O:45][CH2:46][CH3:47])[cH:3][c:4]([Cl:31])[c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[C:13](=[O:14])[N:15]2[CH2:16][CH2:17][N:18]([CH:25]3[CH2:26][CH2:27]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)[cH:28][c:29]1[Cl:30]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 7854PropionitrileHCID 8821Ethyl AcrylateHCID 80271Tri-o-tolylphosphineHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59294468[2-(4-Bromo-2,5-dichloro-phenoxy)-pyridin-3-yl]-(4-cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)-methanone

Product 1

HCID 673681563-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenyl}-acrylic acid ethyl ester

Sources & evidence

ORD record
ord-82bfa60f031546e3b2a77034a26e5764
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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