Acetonitrile → 7-Furan-2-yl-2-[4-(5-methyl-isoxazol-3-ylmethyl)-[1,4]diazepan-1-yl]-pyrazolo[1,5-a][1,3,5]triazin-4-ylamine

HRID 1117575Notes

Reaction equation

HRID 1117575 reaction equation
[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][C:39]#[N:40].[Cl:1][CH2:2][c:3]1[n:4][o:5][c:6]([CH3:8])[cH:7]1.[N:9]1([c:16]2[n:17][c:18]3[n:19]([c:20]([NH2:22])[n:21]2)[n:23][c:24](-[c:26]2[o:27][cH:28][cH:29][cH:30]2)[cH:25]3)[CH2:10][CH2:11][NH:12][CH2:13][CH2:14][CH2:15]1>>[CH2:2]([c:3]1[n:4][o:5][c:6]([CH3:8])[cH:7]1)[N:12]1[CH2:11][CH2:10][N:9]([c:16]2[n:17][c:18]3[n:19]([c:20]([NH2:22])[n:21]2)[n:23][c:24](-[c:26]2[o:27][cH:28][cH:29][cH:30]2)[cH:25]3)[CH2:15][CH2:14][CH2:13]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 27357633-(Chloromethyl)-5-methyl-1,2-oxazoleHCID 694326422-[1,4]Diazepan-1-yl-7-furan-2-yl-pyrazolo[1,5-a][1,3,5]triazin-4-ylamine

Product 1

HCID 111768787-Furan-2-yl-2-[4-(5-methyl-isoxazol-3-ylmethyl)-[1,4]diazepan-1-yl]-pyrazolo[1,5-a][1,3,5]triazin-4-ylamine

Sources & evidence

ORD record
ord-72e8cb496d0e4dddb276308a95fb27b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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