Acetonitrile → 2-[(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 210618Notes

Reaction equation

HRID 210618 reaction equation
[CH3:34][C:35]#[N:36].[NH2:20][CH2:21][CH:22]1[N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]1.[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([n:10][c:11]([S:15]([CH3:16])(=[O:17])=[O:18])[n:12][c:13]3[NH2:14])[n:19]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([n:10][c:11]([NH:20][CH2:21][CH:22]4[N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]4)[n:12][c:13]3[NH2:14])[n:19]2)[cH:3][cH:4][cH:5]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 2756484(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidineHCID 99708822-(Furan-2-yl)-5-(methylsulfonyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

Product 1

HCID 694333622-[(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-4a3ba32fca1341c39cba5eeb3fd0a926
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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