Toluene → 2-(4-Chlorophenyl)-6-{[6-(piperidin-4-yloxy)pyridin-2-yl]methyl}thieno[2,3-d]pyridazin-7(6H)-one

HRID 101128Notes

Reaction equation

HRID 101128 reaction equation
[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([c:12](=[O:37])[n:13]([CH2:16][c:17]4[cH:18][cH:19][cH:20][c:21]([O:23][CH:24]5[CH2:25][CH2:26][N:27]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:28][CH2:29]5)[n:22]4)[n:14][cH:15]3)[s:38]2)[cH:6][cH:7]1.[Cl:46][CH2:47][Cl:48].[Cl:56][CH2:57][Cl:58].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([c:12](=[O:37])[n:13]([CH2:16][c:17]4[cH:18][cH:19][cH:20][c:21]([O:23][CH:24]5[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]5)[n:22]4)[n:14][cH:15]3)[s:38]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344Dichloromethane2×HCID 6422Trifluoroacetic acidHCID 68711796tert-Butyl 4-[(6-{[2-(4-chlorophenyl)-7-oxothieno[2,3-d]pyridazin-6(7H)-yl]methyl}pyridin-2-yl)oxy]piperidine-1-carboxylate

Product 1

HCID 687073382-(4-Chlorophenyl)-6-{[6-(piperidin-4-yloxy)pyridin-2-yl]methyl}thieno[2,3-d]pyridazin-7(6H)-one

Sources & evidence

ORD record
ord-7fc49de7647945e7a667413ace0261e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…