Acetate → 4-[4-(4-(Benzyloxycarbonyl)piperazin-1-yl)phenyl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

HRID 2321783Notes

Reaction equation

HRID 2321783 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][NH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21.[C:47]([P:48]([C:49]([CH3:50])([CH3:51])[CH3:52])[C:53]([CH3:54])([CH3:55])[CH3:56])([CH3:57])([CH3:58])[CH3:59].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[cH:18][cH:19][c:20]([Br:23])[cH:21][cH:22]2)[CH2:15][CH2:16]1.[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:69][c:70]1[c:71]([CH3:72])[cH:73][cH:74][cH:75][cH:76]1.[Na+:46].[Pd+2:64]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[cH:18][cH:19][c:20]([N:34]3[CH2:33][CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[c:40]4[c:35]3[cH:36][cH:37][cH:38][cH:39]4)[cH:21][cH:22]2)[CH2:15][CH2:16]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 7237O-XyleneHCID 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 46739494Benzyl 4-(4-bromophenyl)piperazine-1-carboxylate

Product 1

HCID 668635804-[4-(4-(Benzyloxycarbonyl)piperazin-1-yl)phenyl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b840a2aabfd04abcae1bbd70c521cccc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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