Hydrochloric Acid → 1-[2-Fluoro-4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

HRID 210058Notes

Reaction equation

HRID 210058 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:30][C:31]1([OH:37])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[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][cH:5][c:6]([I:8])[cH:7]1.[Na+:43].[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:55].[Pd:56]>>[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][cH:5][c:6]([N:34]2[CH2:33][CH2:32][C:31]([CH3:30])([OH:37])[CH2:36][CH2:35]2)[cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 156491744-Methylpiperidin-4-olHCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 580721751-[2-Fluoro-4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-7e06a8ac00c0478094c4c6419331f303
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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