Hydrochloric Acid → 5-(1-(5-chloropyrimidin-2-yl)piperidin-4-yloxy)-6-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)pyridazin-3(2H)-one

HRID 1558541Notes

Reaction equation

HRID 1558541 reaction equation
[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].[OH:1][CH2:2][c:3]1[c:4]([O:20][CH:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[cH:5][c:6](=[O:19])[n:7](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]2)[n:8]1>>[OH:1][CH2:2][c:3]1[c:4]([O:20][CH:21]2[CH2:22][CH2:23][N:24]([c:41]3[n:40][cH:39][c:38]([Cl:37])[cH:43][n:42]3)[CH2:25][CH2:26]2)[cH:5][c:6](=[O:19])[n:7](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]2)[n:8]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 299380055-Chloro-2-iodopyrimidineHCID 670723026-(Hydroxymethyl)-2-(4-methylsulfonylphenyl)-5-piperidin-4-yloxypyridazin-3-one

Product 1

HCID 446211425-(1-(5-chloropyrimidin-2-yl)piperidin-4-yloxy)-6-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-b4ff98185b69496db6e30e802d21f04a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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