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

HRID 2310469Notes

Reaction equation

HRID 2310469 reaction equation
[Br:1][c:2]1[c:3]([F:28])[c:4](-[n:8]2[n:9][c:10](-[c:17]3[cH:18][cH:19][n:20][n:21]3-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][cH:6][cH:7]1.[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[ClH:29].[F:30][C:31]1([F:38])[CH2:32][NH:33][CH2:34][C:35]1([F:36])[F:37].[Na+:44].[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[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]>>[c:2]1([N:33]2[CH2:32][C:31]([F:30])([F:38])[C:35]([F:36])([F:37])[CH2:34]2)[c:3]([F:28])[c:4](-[n:8]2[n:9][c:10](-[c:17]3[cH:18][cH:19][n:20][n:21]3-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][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 45749132-Methylpropan-2-olateHCID 99391353,3,4,4-TetrafluoropyrrolidineHCID 580723441-(3-Bromo-2-fluorophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 580722431-[2-Fluoro-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-30d3243472a647838cfc6a058e53a857
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…