Potassium Cation → 7,8-Bis(4-chlorophenyl)-2-(2-hydroxycyclohexyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

HRID 679552Notes

Reaction equation

HRID 679552 reaction equation
[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:25]12[CH:26]([CH2:27][CH2:28][CH2:29][CH2:30]1)[O:31]2.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:6][cH:7]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[n:15]([CH:25]2[CH:26]([OH:31])[CH2:27][CH2:28][CH2:29][CH2:30]2)[n:16]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9246Cyclohexene oxideHCID 19660Carbonate IonHCID 111641617,8-bis(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Product 1

HCID 597167657,8-Bis(4-chlorophenyl)-2-(2-hydroxycyclohexyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-a0496b26bbfa433aa7d3361da87ef289
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…