Acetate → 1-[4-(4-Amino-3-methyl-5-nitro-phenyl)-piperazin-1-yl]-ethanone

HRID 177165Notes

Reaction equation

HRID 177165 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([NH2:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[C:13]([CH3:14])(=[O:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[C:22]([P:23]([C:24]([CH3:25])([CH3:26])[CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])([CH3:32])([CH3:33])[CH3:34].[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Na+:40].[Pd+2:58]>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([C:13]([CH3:14])=[O:15])[CH2:21][CH2:20]2)[cH:3][c:4]([CH3:12])[c:5]([NH2:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 837951-AcetylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5226794-Bromo-2-methyl-6-nitroanilineHCID 45749132-Methylpropan-2-olate

Product 1

HCID 220210541-[4-(4-Amino-3-methyl-5-nitro-phenyl)-piperazin-1-yl]-ethanone

Sources & evidence

ORD record
ord-0be36ae4dc6e4db68506cf64211bb5bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…