4-Cyanobenzaldehyde → 4-[[4-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-1-yl]methyl]benzonitrile

HRID 664966

Reaction equation

HRID 664966 reaction equation
[CH:21](=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]1.[N:1]1([c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]([F:18])([F:19])[F:20])[n:15][n:16]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]([F:18])([F:19])[F:20])[n:15][n:16]3)[CH2:2][CH2:3][N:4]([CH2:21][c:23]2[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]2)[CH2:5][CH2:6][CH2:7]1

Participants

3

Reactant 2

HCID 660424-CyanobenzaldehydeHCID 673406096-(1,4-Diazepan-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Product 1

HCID 673407824-[[4-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-1-yl]methyl]benzonitrile

Sources & evidence

ORD record
ord-7739dbe203b2404a91f42f9469ad649f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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