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

HRID 932359Notes

Reaction equation

HRID 932359 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.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH3:57][N:58]1[CH2:59][CH2:60][CH2:61][C:62]1=[O:63].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[ClH:27].[F:37][CH:38]([O:39][c:40]1[cH:41][n:42][c:43]([S:46]([CH3:47])(=[O:48])=[O:49])[n:44][cH:45]1)[F:50]>>[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:43]4[n:42][cH:41][c:40]([O:39][CH:38]([F:37])[F:50])[cH:45][n:44]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 670726245-(Difluoromethoxy)-2-(methylsulfonyl)pyrimidineHCID 674448771-(4-Methylsulfonylphenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile

Product 1

HCID 446212264-(1-(5-(Difluoromethoxy)pyrimidin-2-yl)piperidin-4-yloxy)-1-(4-(methylsulfonyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carbonitrile

Sources & evidence

ORD record
ord-78f67e2e1e544b1181690a2bd8a7e1f5
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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