Acetonitrile → 2-(3-Fluoro-phenyl)-5-[4-(5-methyl-isoxazol-4-ylmethyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

HRID 172364Notes

Reaction equation

HRID 172364 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41].[Cl:1][CH2:2][c:3]1[cH:4][n:5][o:6][c:7]1[CH3:8].[F:9][c:10]1[cH:11][c:12](-[c:16]2[n:17][n:18]3[c:19]([n:20][c:21]([N:25]4[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]4)[n:22][c:23]3[NH2:24])[n:31]2)[cH:13][cH:14][cH:15]1>>[CH2:2]([c:3]1[cH:4][n:5][o:6][c:7]1[CH3:8])[N:28]1[CH2:27][CH2:26][N:25]([c:21]2[n:20][c:19]3[n:18]([n:17][c:16](-[c:12]4[cH:11][c:10]([F:9])[cH:15][cH:14][cH:13]4)[n:31]3)[c:23]([NH2:24])[n:22]2)[CH2:30][CH2:29]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 138497564-(Chloromethyl)-5-methyl-1,2-oxazoleHCID 694310402-(3-Fluoro-phenyl)-5-piperazin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

Product 1

HCID 114866512-(3-Fluoro-phenyl)-5-[4-(5-methyl-isoxazol-4-ylmethyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

Sources & evidence

ORD record
ord-2cc221f79778486981b53e53a8d01215
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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