Sodium ion → 1-[2-Fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N,5-dimethoxy-N-methyl-4-oxo-1,4-dihydropyridazine-3-carboxamide

HRID 1202329Notes

Reaction equation

HRID 1202329 reaction equation
[Br:1][c:2]1[c:3]([F:23])[c:4](-[n:8]2[n:9][c:10]([C:17](=[O:18])[N:19]([CH3:20])[O:21][CH3:22])[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][cH:6][cH:7]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:24][n:25]1[n:26][cH:27][c:28]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:29]1.[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Na+:43].[Na+:44].[OH2:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:28]2[cH:27][n:26][n:25]([CH3:24])[cH:29]2)[c:3]([F:23])[c:4](-[n:8]2[n:9][c:10]([C:17](=[O:18])[N:19]([CH3:20])[O:21][CH3:22])[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 866439361-(3-Bromo-2-fluorophenyl)-N,5-dimethoxy-N-methyl-4-oxo-1,4-dihydropyridazine-3-carboxamideHCID 178420554HCID 178420554, compound

Product 1

HCID 594361531-[2-Fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N,5-dimethoxy-N-methyl-4-oxo-1,4-dihydropyridazine-3-carboxamide

Sources & evidence

ORD record
ord-91318a7be74d4ff0ac51e002b8a85327
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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