Chloride → 2-(2-Hydroxy-2-methylcyclohexyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

HRID 89280

Reaction equation

HRID 89280 reaction equation
[CH2:35]([N+:36]([CH3:37])([CH3:38])[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:23][C:24]12[CH:25]([CH2:26][CH2:27][CH2:28][CH2:29]1)[O:30]2.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl-:34].[Na+:32].[O:1]=[c:2]1[nH:3][n:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1.[OH-:31].[OH2:33]>>[O:1]=[c:2]1[n:3]([CH:25]2[C:24]([CH3:23])([OH:30])[CH2:29][CH2:28][CH2:27][CH2:26]2)[n:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 5964BenzyltrimethylammoniumHCID 2242431-Methyl-1,2-epoxycyclohexaneHCID 105894183(2H)-Pyridazinone, 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-

Product 1

HCID 701575172-(2-Hydroxy-2-methylcyclohexyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

Sources & evidence

ORD record
ord-a2704b61b6df4f20a737865283098f39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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