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

HRID 162158Notes

Reaction equation

HRID 162158 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:44][C:45]([CH3:46])([O-:47])[CH3:48].[ClH:36].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]([F:33])[c:10](-[n:13]2[n:14][c:15](-[c:22]3[cH:23][cH:24][n:25][n:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:16](=[O:21])[c:17]([O:19][CH3:20])[cH:18]2)[cH:11][cH:12]1)(=[O:34])=[O:35].[F:37][C:38]1([F:43])[CH2:39][NH:40][CH2:41][CH2:42]1.[Na+:49].[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[OH2:50].[Pd:57].[Pd:58]>>[c:7]1([N:40]2[CH2:39][C:38]([F:37])([F:43])[CH2:42][CH2:41]2)[cH:8][c:9]([F:33])[c:10](-[n:13]2[n:14][c:15](-[c:22]3[cH:23][cH:24][n:25][n:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:16](=[O:21])[c:17]([O:19][CH3:20])[cH:18]2)[cH:11][cH:12]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 27828273,3-DifluoropyrrolidineHCID 45749132-Methylpropan-2-olateHCID 580722213-fluoro-4-[5-methoxy-4-oxo-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-1(4H)-yl]phenyl trifluoromethanesulfonate

Product 1

HCID 580722001-[4-(3,3-Difluoropyrrolidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-bc8e4d66667b45fb9101acd298fcee8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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