Ethanol → N-[4-[6-(1-azabicyclo[2.2.2]octan-3-yloxy)pyridazin-3-yl]phenyl]acetamide

HRID 1239121Notes

Reaction equation

HRID 1239121 reaction equation
[CH3:114][CH2:115][OH:116].[CH3:17][C:18]1([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23][B:24]([c:25]2[cH:26][cH:27][c:28]([NH:31][C:32]([CH3:33])=[O:34])[cH:29][cH:30]2)[O:35]1.[CH:36]1([P:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2-[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH:9]2[CH2:10][N:11]3[CH2:12][CH2:13][CH:14]2[CH2:15][CH2:16]3)[n:6][n:7]1.[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66].[O:108]1[CH2:109][CH2:110][O:111][CH2:112][CH2:113]1.[Pd:67]([Cl:68])[Cl:69].[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:2]1(-[c:25]2[cH:26][cH:27][c:28]([NH:31][C:32]([CH3:33])=[O:34])[cH:29][cH:30]2)[cH:3][cH:4][c:5]([O:8][CH:9]2[CH2:10][N:11]3[CH2:12][CH2:13][CH:14]2[CH2:15][CH2:16]3)[n:6][n:7]1

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ion2×HCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 27346194'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilideHCID 117764033-[(6-Chloropyridazin-3-yl)oxy]quinuclidine

Product 1

HCID 67069869N-[4-[6-(1-azabicyclo[2.2.2]octan-3-yloxy)pyridazin-3-yl]phenyl]acetamide

Sources & evidence

ORD record
ord-a38e952f608c4107be768881638b69ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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