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

HRID 1144595Notes

Reaction equation

HRID 1144595 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[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:44])[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[Na+:50].[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH2:51].[Pd:58].[Pd:59]>>[c:7]1([N:41]2[CH2:40][CH2:39][C:38]([F:37])([F:44])[CH2:43][CH2:42]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 27583524,4-DifluoropiperidineHCID 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 580724521-[4-(4,4-Difluoropiperidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-a42c3a17859f41c8865c955e01ee5b0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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