Hydrochloric Acid → 4-(1-(5-Chloropyrimidin-2-yl)piperidin-4-yloxy)-1-(4-(methylsulfonyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carbonitrile

HRID 950118Notes

Reaction equation

HRID 950118 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]([C:25]#[N:26])[c:14]([O:18][CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:15][c:16]2=[O:17])[cH:9][cH:10]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:37][c:38]1[cH:39][n:40][c:41]([I:44])[n:42][cH:43]1.[ClH:27]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]([C:25]#[N:26])[c:14]([O:18][CH:19]3[CH2:20][CH2:21][N:22]([c:41]4[n:40][cH:39][c:38]([Cl:37])[cH:43][n:42]4)[CH2:23][CH2:24]3)[cH:15][c:16]2=[O:17])[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 299380055-Chloro-2-iodopyrimidineHCID 674448771-(4-Methylsulfonylphenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile

Product 1

HCID 446211434-(1-(5-Chloropyrimidin-2-yl)piperidin-4-yloxy)-1-(4-(methylsulfonyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carbonitrile

Sources & evidence

ORD record
ord-803ce14fc3c04655baec84b722e75fee
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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