Sodium ion → 5-[5-(4-Fluoro-benzyl)-2,5-diaza-bicyclo[2.2.1]hept-2-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

HRID 1205122Notes

Reaction equation

HRID 1205122 reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH:1]12[N:2]([c:8]3[n:9][c:10]4[n:11]([c:12]([NH2:14])[n:13]3)[n:15][c:16](-[c:18]3[o:19][cH:20][cH:21][cH:22]3)[n:17]4)[CH2:3][CH:4]([NH:5][CH2:6]1)[CH2:7]2.[Cl:46][CH2:47][Cl:48].[F:23][c:24]1[cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31]1.[Na+:45]>>[CH:1]12[N:2]([c:8]3[n:9][c:10]4[n:11]([c:12]([NH2:14])[n:13]3)[n:15][c:16](-[c:18]3[o:19][cH:20][cH:21][cH:22]3)[n:17]4)[CH2:3][CH:4]([N:5]([CH2:28][c:27]3[cH:26][cH:25][c:24]([F:23])[cH:31][cH:30]3)[CH2:6]1)[CH2:7]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6344DichloromethaneHCID 680234-FluorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 686848935-(2,5-Diaza-bicyclo[2.2.1]hept-2-yl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

Product 1

HCID 112582655-[5-(4-Fluoro-benzyl)-2,5-diaza-bicyclo[2.2.1]hept-2-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

Sources & evidence

ORD record
ord-499f49fa5c1e44a0a7f7c76ac9668ddd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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