Carbonate Ion → 2-(Fluoromethyl)-1-methyl-4-(6-nitropyridin-3-yl)piperazine

HRID 2130997Notes

Reaction equation

HRID 2130997 reaction equation
[Br:10][c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[n:15][cH:16]1.[C:20](=[O:21])([O-:22])[O-:23].[CH2:82]1[O:83][CH2:84][CH2:85][O:86][CH2:87]1.[CH:28](=[CH:29][C:30]([CH:31]=[CH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:46](=[CH:47][C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)=[O:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:64](=[CH:65][C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)=[O:75])[c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Cs+:24].[Cs+:25].[F:1][CH2:2][CH:3]1[N:4]([CH3:9])[CH2:5][CH2:6][NH:7][CH2:8]1.[Pd:26].[Pd:27]>>[F:1][CH2:2][CH:3]1[N:4]([CH3:9])[CH2:5][CH2:6][N:7]([c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[n:15][cH:16]2)[CH2:8]1

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 8176205-Bromo-2-nitropyridineHCID 197772702-(Fluoromethyl)-1-methylpiperazine

Product 1

HCID 580437532-(Fluoromethyl)-1-methyl-4-(6-nitropyridin-3-yl)piperazine

Sources & evidence

ORD record
ord-543f1325875c4d829cc894486e402b06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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