Acetate → 1-(4-Methoxy-3-nitrophenyl)-4-methylpiperazine

HRID 1225676Notes

Reaction equation

HRID 1225676 reaction equation
[Br:37][c:38]1[cH:39][c:40]([N+:46](=[O:47])[O-:48])[c:41]([O:44][CH3:45])[cH:42][cH:43]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:49][N:50]1[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]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][c:20]2[N:21]([CH3:22])[CH3:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[K+:34].[K+:35].[K+:36].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[Pd+2:61]>>[c:38]1([N:53]2[CH2:52][CH2:51][N:50]([CH3:49])[CH2:55][CH2:54]2)[cH:39][c:40]([N+:46](=[O:47])[O-:48])[c:41]([O:44][CH3:45])[cH:42][cH:43]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8028TetrahydrofuranHCID 531671-MethylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1185334-Bromo-2-nitroanisoleHCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl

Product 1

HCID 594418861-(4-Methoxy-3-nitrophenyl)-4-methylpiperazine

Sources & evidence

ORD record
ord-310060529f02427bbf3236dc078e3171
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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