Hydrochloric Acid → 1-[5-(3,3-Difluoroazetidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

HRID 193010Notes

Reaction equation

HRID 193010 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[ClH:29].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][c:5]([I:8])[cH:6][cH:7]1.[F:30][C:31]1([F:35])[CH2:32][NH:33][CH2:34]1.[Na+:41].[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:53].[Pd:54]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][c:5]([N:33]2[CH2:32][C:31]([F:30])([F:35])[CH2:34]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 27582483,3-DifluoroazetidineHCID 45749132-Methylpropan-2-olateHCID 580722081-(2-Fluoro-5-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 580722551-[5-(3,3-Difluoroazetidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-be502ddce6a34b4a8a0fec09695dc5c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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