Acetate → 4-(2-Methoxy-quinolin-5-yl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 670169Notes

Reaction equation

HRID 670169 reaction equation
[Br:26][c:27]1[c:28]2[cH:29][cH:30][c:31]([O:37][CH3:38])[n:32][c:33]2[cH:34][cH:35][cH:36]1.[C:39](=[O:40])([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[N:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[Na+:57].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64]>>[c:27]1([N:49]2[CH2:48][CH2:47][N:46]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:51][CH2:50]2)[c:28]2[cH:29][cH:30][c:31]([O:37][CH3:38])[n:32][c:33]2[cH:34][cH:35][cH:36]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 142209695-Bromo-2-methoxyquinoline

Product 1

HCID 694222494-(2-Methoxy-quinolin-5-yl)-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-55d65203f99f4171a9af47f072d6c5f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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