Acetate → 1-(4,6-Dimethyl-pyridin-2-yl)-4-(4-nitro-phenyl)-piperazine

HRID 1212246Notes

Reaction equation

HRID 1212246 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[n:5][c:6]([CH3:8])[cH:7]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[N:51]([CH3:52])[CH3:53])[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[Cl:15][c:16]1[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]1.[Cs+:29].[Cs+:30].[O-:72][C:73]([CH3:74])=[O:75].[O-:76][C:77]([CH3:78])=[O:79].[Pd+2:71]>>[CH3:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([c:16]3[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]3)[CH2:13][CH2:14]2)[n:5][c:6]([CH3:8])[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 1140TolueneHCID 74741-Chloro-4-nitrobenzeneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 233680631-(4,6-Dimethylpyridin-2-YL)piperazine

Product 1

HCID 668512921-(4,6-Dimethyl-pyridin-2-yl)-4-(4-nitro-phenyl)-piperazine

Sources & evidence

ORD record
ord-b83c396b4b424e05a67c04e8736bdbf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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