Acetate → 1-[2-Chloro-6-[1-(4-fluorophenyl)ethylamino]-4-pyridinyl]ethanone

HRID 107301Notes

Reaction equation

HRID 107301 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Cl:1][c:2]1[n:3][c:4]([Cl:11])[cH:5][c:6]([C:8]([CH3:9])=[O:10])[cH:7]1.[Cs+:72].[Cs+:73].[F:12][c:13]1[cH:14][cH:15][c:16]([CH:19]([CH3:20])[NH2:21])[cH:17][cH:18]1.[Pd+2:78].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[c:2]1([NH:21][CH:19]([c:16]2[cH:15][cH:14][c:13]([F:12])[cH:18][cH:17]2)[CH3:20])[n:3][c:4]([Cl:11])[cH:5][c:6]([C:8]([CH3:9])=[O:10])[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1230631-(4-Fluorophenyl)ethylamineHCID 634876Binap, (A+-)-HCID 221194461-(2,6-Dichloropyridin-4-YL)ethanone

Product 1

HCID 872349651-[2-Chloro-6-[1-(4-fluorophenyl)ethylamino]-4-pyridinyl]ethanone

Sources & evidence

ORD record
ord-4a6721526fdd412788829ac933413b9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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