Hydrochloric Acid → 1-{3-Fluoro-4-[(phenylmethyl)oxy]phenyl}-1H-indazol-4-ol

HRID 1564489Notes

Reaction equation

HRID 1564489 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][n:5][n:6](-[c:11]3[cH:12][c:13]([F:25])[c:14]([O:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1.[CH3:28][C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][c:40]1-[c:41]1[c:42]([CH:43]([CH3:44])[CH3:45])[cH:46][c:47]([CH:48]([CH3:49])[CH3:50])[cH:51][c:52]1[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[ClH:58].[K+:27].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[OH-:26].[OH2:65].[Pd:72].[Pd:73]>>[c:2]1([OH:26])[c:3]2[cH:4][n:5][n:6](-[c:11]3[cH:12][c:13]([F:25])[c:14]([O:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneHCID 592729654-Bromo-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-1H-indazole

Product 1

HCID 1360852461-{3-Fluoro-4-[(phenylmethyl)oxy]phenyl}-1H-indazol-4-ol

Sources & evidence

ORD record
ord-4fe9af485f0f4dd3be38a65ca1e89692
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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