Acetate → 4-{4-[4-(pyridin-4-yloxy)piperidin-1-yl]phenyl}-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

HRID 105241Notes

Reaction equation

HRID 105241 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[cH:16][cH:17][n:18][cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][NH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]21.[C:44]([P:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])([CH3:54])([CH3:55])[CH3:56].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:57][c:58]1[c:59]([CH3:60])[cH:61][cH:62][cH:63][cH:64]1.[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[Na+:43].[Pd+2:69]>>[c:2]1([N:31]2[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[c:37]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[cH:16][cH:17][n:18][cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 7237O-XyleneHCID 8857Ethyl AcetateHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 16740533Tert-butyl 1,2,3,4-tetrahydroquinoxaline-1-carboxylateHCID 668633164-[1-(4-Bromophenyl)piperidin-4-yloxy]pyridine

Product 1

HCID 668633364-{4-[4-(pyridin-4-yloxy)piperidin-1-yl]phenyl}-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-42bd8e601f2047af90aabbd9c12c0b6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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