Bicarbonate Ion → N-(4-(3-(1-(cyanomethyl)-1H-pyrazol-4-yl)pyridin-4-yloxy)-2,5-difluorophenyl)-1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

HRID 1152763Notes

Reaction equation

HRID 1152763 reaction equation
[Br:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][c:11]([F:33])[c:12]([NH:16][C:17](=[O:18])[c:19]2[c:20](=[O:32])[n:21](-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[cH:22][cH:23][cH:24]2)[cH:13][c:14]1[F:15].[C:51](=[O:52])([O-:53])[O-:54].[CH3:34][C:35]1([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40][B:41]([c:42]2[cH:43][n:44][n:45]([CH2:47][C:48]#[N:49])[cH:46]2)[O:50]1.[K+:55].[K+:56].[Na+:61].[O-:57][C:58]([OH:59])=[O:60].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[OH2:68].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[c:2]1(-[c:42]2[cH:43][n:44][n:45]([CH2:47][C:48]#[N:49])[cH:46]2)[cH:3][n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][c:11]([F:33])[c:12]([NH:16][C:17](=[O:18])[c:19]2[c:20](=[O:32])[n:21](-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[cH:22][cH:23][cH:24]2)[cH:13][c:14]1[F:15]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 674680952-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetonitrileHCID 68009215N-(4-(3-Bromopyridin-4-yloxy)-2,5-difluorophenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamideHCID 178420554HCID 178420554, compound

Product 1

HCID 54596485N-(4-(3-(1-(cyanomethyl)-1H-pyrazol-4-yl)pyridin-4-yloxy)-2,5-difluorophenyl)-1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

Sources & evidence

ORD record
ord-e1536e92f9274a4d96b180ba036f5759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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