Sodium ion → 4-(2-(4-Aminophenoxy)pyridin-3-yl)-5-methylisoxazol-3-amine

HRID 2316672Notes

Reaction equation

HRID 2316672 reaction equation
[B-:38]([F:39])([F:40])([F:41])[F:42].[C:43]([PH+:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])([CH3:53])([CH3:54])[CH3:55].[CH3:9][C:10]1([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15][B:16]([c:17]2[c:18]([O:23][c:24]3[cH:25][cH:26][c:27]([NH2:30])[cH:28][cH:29]3)[n:19][cH:20][cH:21][cH:22]2)[O:31]1.[NH2:1][c:2]1[n:3][o:4][c:5]([CH3:8])[c:6]1[Br:7].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[O:112]1[CH2:113][CH2:114][O:115][CH2:116][CH2:117]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57]>>[NH2:1][c:2]1[n:3][o:4][c:5]([CH3:8])[c:6]1-[c:17]1[c:18]([O:23][c:24]2[cH:25][cH:26][c:27]([NH2:30])[cH:28][cH:29]2)[n:19][cH:20][cH:21][cH:22]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 23938Palladium2×HCID 26255TetrafluoroborateHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 27744644-Bromo-5-methyl-1,2-oxazol-3-amineHCID 4060964Tri-t-butylphosphoniumHCID 574164444-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yloxy)benzenamine

Product 1

HCID 577562454-(2-(4-Aminophenoxy)pyridin-3-yl)-5-methylisoxazol-3-amine

Sources & evidence

ORD record
ord-3c4e57412cb748a680cff2dde4010f0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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