Bromide ion → 4-(2-ethylphenyl)-5-methoxy-2-methyl-3(2H)-pyridazinone

HRID 294847Notes

Reaction equation

HRID 294847 reaction equation
[Br-:35].[CH2:12]([CH3:13])[c:14]1[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1.[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[CH3:36][CH2:37][CH2:38][CH2:39][N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52].[Cl:1][c:2]1[c:3](=[O:11])[n:4]([CH3:10])[n:5][cH:6][c:7]1[O:8][CH3:9].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:130].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:15]2[c:14]([CH2:12][CH3:13])[cH:19][cH:18][cH:17][cH:16]2)[c:3](=[O:11])[n:4]([CH3:10])[n:5][cH:6][c:7]1[O:8][CH3:9]

Participants

10

Reactant 9

HCID 259Bromide ionHCID 923Sodium ion2×HCID 962WaterHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27749384-Chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-oneHCID 41008622-Ethylphenylboronic Acid (contains varying amounts of Anhydride)HCID 178420554HCID 178420554, compound

Product 1

HCID 574373174-(2-ethylphenyl)-5-methoxy-2-methyl-3(2H)-pyridazinone

Sources & evidence

ORD record
ord-244d913aaab84d96a74adf3e4a12e082
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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