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Acetate → Tert-butyl 4-(2,4-dimethylphenyl)-3-methylpiperazine-1-carboxylate

HRID 199834
Notes
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Reaction equation

HRID 199834 reaction equation
[Br:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[C:10](=[O:11])([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[N:17]1[CH2:18][CH:19]([CH3:23])[NH:20][CH2:21][CH2:22]1.[CH3:58][C:59]([CH3:60])([O-:61])[CH3:62].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:24]1([P:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2-[c:38]2[c:39]([CH:40]([CH3:41])[CH3:42])[cH:43][c:44]([CH:45]([CH3:46])[CH3:47])[cH:48][c:49]2[CH:50]([CH3:51])[CH3:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Na+:63].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64]>>[c:2]1([N:20]2[CH:19]([CH3:23])[CH2:18][N:17]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:22][CH2:21]2)[c:3]([CH3:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium IonHCID 1140TolueneHCID 68503Benzene, 1-bromo-2,4-dimethyl-HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylate
HCID 4574913
2-Methylpropan-2-olate
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

Product 1

HCID 67381070Tert-butyl 4-(2,4-dimethylphenyl)-3-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-4f3962c0f30e40589e756e2c739ba7df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes