Imidazole → 2-(4-(Isoxazol-5-yl)benzyl)-7-(4-chlorophenyl)-8-(1H-imidazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

HRID 2330836Notes

Reaction equation

HRID 2330836 reaction equation
[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[nH:31]1[cH:32][n:33][cH:34][cH:35]1.[o:1]1[n:2][cH:3][cH:4][c:5]1-[c:6]1[cH:7][cH:8][c:9]([CH2:10][n:11]2[n:12][c:13]3[n:14]([n:15][cH:16][c:17](-[c:20]4[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]4)[c:18]3[Cl:19])[c:27]2=[O:28])[cH:29][cH:30]1>>[o:1]1[n:2][cH:3][cH:4][c:5]1-[c:6]1[cH:7][cH:8][c:9]([CH2:10][n:11]2[n:12][c:13]3[n:14]([n:15][cH:16][c:17](-[c:20]4[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]4)[c:18]3-[n:31]3[cH:32][n:33][cH:34][cH:35]3)[c:27]2=[O:28])[cH:29][cH:30]1

Participants

4

Reactant 3

HCID 795ImidazoleHCID 13387N-methyl-2-pyrrolidoneHCID 597165402-(4-(isoxazol-5-yl)benzyl)-8-chloro-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Product 1

HCID 597166232-(4-(Isoxazol-5-yl)benzyl)-7-(4-chlorophenyl)-8-(1H-imidazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-a3ed505cc1a7440ba9a0bc7b0d9c2897
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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