Water → 1-(1-Methylethyl)-4-[3-(methyloxy)-4-nitrophenyl]piperazine

HRID 2134520Notes

Reaction equation

HRID 2134520 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:13][CH:14]([CH3:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[Cl:1][c:2]1[cH:3][c:4]([O:11][CH3:12])[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[Cs+:26].[Cs+:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[OH2:40].[Pd:41].[Pd:42]>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([CH:14]([CH3:13])[CH3:15])[CH2:21][CH2:20]2)[cH:3][c:4]([O:11][CH3:12])[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 780131-IsopropylpiperazineHCID 811105-Chloro-2-nitroanisoleHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×

Product 1

HCID 587484431-(1-Methylethyl)-4-[3-(methyloxy)-4-nitrophenyl]piperazine

Sources & evidence

ORD record
ord-152925fcedf9405abc8c2c55ed658818
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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