1H-Pyrazole-4-carbonitrile → 1-[2-[4-[4-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]phenoxy]ethyl]-1H-pyrazole-4-carbonitrile

HRID 177382Notes

Reaction equation

HRID 177382 reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20]4[n:21]([n:22]3)[c:23]([C:26]([F:27])([F:28])[F:29])[n:24][n:25]4)[CH2:15][CH2:16]2)[cH:9][cH:10]1.[C:30](#[N:31])[c:32]1[cH:33][n:34][nH:35][cH:36]1>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20]4[n:21]([n:22]3)[c:23]([C:26]([F:27])([F:28])[F:29])[n:24][n:25]4)[CH2:15][CH2:16]2)[cH:9][cH:10]1)[n:34]1[cH:33][c:32]([C:30]#[N:31])[cH:36][n:35]1

Participants

3

Reactant 2

HCID 5644491H-Pyrazole-4-carbonitrileHCID 673403266-[4-[4-(2-Bromoethoxy)phenyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Product 1

HCID 591497801-[2-[4-[4-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]phenoxy]ethyl]-1H-pyrazole-4-carbonitrile

Sources & evidence

ORD record
ord-0f0f038262a54e7988ae00bf3c8c9510
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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