Acetate → 2-Methyl-5-(3-methylpiperazin-1-yl)quinoline

HRID 1545328Notes

Reaction equation

HRID 1545328 reaction equation
[C:86]([O-:87])(=[O:88])[CH3:89].[C:8](=[O:9])([O-:10])[O-:11].[C:91]([O-:92])(=[O:93])[CH3:94].[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][NH:6][CH2:7]1.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cs+:12].[Cs+:13].[F:60][C:61]([F:62])([F:63])[S:64]([O:65][c:66]1[c:67]2[cH:68][cH:69][c:70]([CH3:76])[n:71][c:72]2[cH:73][cH:74][cH:75]1)(=[O:77])=[O:78].[Pd+2:90].[c:14]1([P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:27][cH:28][cH:29][cH:30]3)[c:31]2-[c:32]2[c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[cH:39][cH:40][c:41]2[P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][N:6]([c:66]2[c:67]3[cH:68][cH:69][c:70]([CH3:76])[n:71][c:72]3[cH:73][cH:74][cH:75]2)[CH2:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 660572-MethylpiperazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 498518992-Methylquinolin-5-yl trifluoromethanesulfonate

Product 1

HCID 689451732-Methyl-5-(3-methylpiperazin-1-yl)quinoline

Sources & evidence

ORD record
ord-503ec7b0dcb44674a2efa29a53fc43e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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