Acetate → 2-{3-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

HRID 211937

Reaktionsgleichung

Reaktionsgleichung von HRID 211937
[C:25](=[O:26])([O-:27])[O-:28].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([Br:22])[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2.[CH3:32][c:33]1[c:34]([N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:35][cH:36][c:37]([CH3:39])[cH:38]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[ClH:31].[Cs+:29].[Cs+:30].[Pd+2:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([N:43]3[CH2:42][CH2:41][N:40]([c:34]4[c:33]([CH3:32])[cH:38][c:37]([CH3:39])[cH:36][cH:35]4)[CH2:45][CH2:44]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2

Komponenten

9

Edukt 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 1140TolueneHCID 19660Carbonate IonHCID 705441-(2,4-Xylyl)piperazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 674428312-(3-Bromo-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Produkt 1

HCID 674412112-{3-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Quellen und Nachweise

ORD-Eintrag
ord-465c81155253442abeb73cc62d4efdde
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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