Acetate → 6-(4-Fluoro-3-(pyrrolidine-1-carboxamido)phenylamino)-4-(pyridin-3-ylmethylamino)nicotinamide

HRID 1131632

Reaction equation

HRID 1131632 reaction equation
[C:81](=[O:82])([O-:83])[O-:84].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH2:8])[c:9]([NH:11][CH2:12][c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[cH:10]1.[Cs+:85].[Cs+:86].[NH2:19][c:20]1[cH:21][cH:22][c:23]([F:34])[c:24]([NH:26][C:27](=[O:28])[N:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:25]1.[O-:94][C:95]([CH3:96])=[O:97].[O-:98][C:99]([CH3:100])=[O:101].[O:87]1[CH2:88][CH2:89][O:90][CH2:91][CH2:92]1.[Pd+2:93].[cH:35]1[cH:36][cH:37][c:38]([P:39]([c:40]2[cH:41][cH:42][c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[c:49]2-[c:50]2[c:51]3[c:52]([cH:53][cH:54][cH:55][cH:56]3)[cH:57][cH:58][c:59]2[P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80]1>>[c:2]1([NH:19][c:20]2[cH:21][cH:22][c:23]([F:34])[c:24]([NH:26][C:27](=[O:28])[N:29]3[CH2:30][CH2:31][CH2:32][CH2:33]3)[cH:25]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH2:8])[c:9]([NH:11][CH2:12][c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 584402016-Chloro-4-(pyridin-3-ylmethylamino)nicotinamideHCID 66841440N-(5-amino-2-fluorophenyl)pyrrolidine-1-carboxamide

Product 1

HCID 580986966-(4-Fluoro-3-(pyrrolidine-1-carboxamido)phenylamino)-4-(pyridin-3-ylmethylamino)nicotinamide

Sources & evidence

ORD record
ord-faf07a202b5a4149ba67cfa8e1526ae3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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