Acetate → 4-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)phenyl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

HRID 209771Notes

Reaction equation

HRID 209771 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([O:12][CH2:13][CH2:14][O:15]3)[CH2:16][CH2:17]2)[cH:6][cH:7]1.[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][NH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]21.[C:41]([P:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50])([CH3:51])([CH3:52])[CH3:53].[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:54][c:55]1[c:56]([CH3:57])[cH:58][cH:59][cH:60][cH:61]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[Na+:40].[Pd+2:66]>>[c:2]1([N:28]2[CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[c:34]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([O:12][CH2:13][CH2:14][O:15]3)[CH2:16][CH2:17]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 121693418-(4-Bromophenyl)-1,4-dioxa-8-azaspiro[4.5]decaneHCID 16740533Tert-butyl 1,2,3,4-tetrahydroquinoxaline-1-carboxylate

Product 1

HCID 668631744-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)phenyl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-2ee57220eb1143e48dc8e5485ad510fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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