HCID 86624786, compound → HCID 44628665, compound

HRID 552087Notes

Reaction equation

HRID 552087 reaction equation
Cl[C:2]1[C:3]2[CH:10]=[CH:9][N:8]([C@@H:11]3[O:16][C@H:15]([CH2:17][OH:18])[C@@H:13]([OH:14])[C@@:12]3([C:20]#[CH:21])[F:19])[C:4]=2[N:5]=[CH:6][N:7]=1.ClC1N=CN=C2C=1[N:25]=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C#C)F>>[NH2:25][C:2]1[C:3]2[CH:10]=[CH:9][N:8]([C@@H:11]3[O:16][C@H:15]([CH2:17][OH:18])[C@@H:13]([OH:14])[C@@:12]3([C:20]#[CH:21])[F:19])[C:4]=2[N:5]=[CH:6][N:7]=1

Participants

3

Reactant 2

HCID 86624786HCID 86624786, compoundHCID 86624787HCID 86624787, compound

Product 1

HCID 44628665HCID 44628665, compound

Procedure

7l was synthesized from 6g as described for 6a. White lyophilised powder. Molecular Formula C13H13FN4O3. 1H NMR (DMSO-d6, 400 MHz) δ (ppm) 3.61 (d, J=5.52 Hz, 1H), 3.63-3.67 (m, 1H), 3.80-3.83 (d, J=12.14 Hz, 1H), 3.86-3.88 (d, J=9.38 Hz, 1H), 4.46-4.54 (dd, J=23.23 Hz and J=9.39 Hz, 1H), 5.30 (brs, 1H), 6.1 (brs, 1H), 6.41-6.47 (d, J=16.47 Hz, 1H), 6.57-6.61 (d, J=16.47 Hz, 1H), 7.04 (s, 2H), 7.37-7.38 (d, J=3.65 Hz, 1H), 8.05 (s, 1H) 19F NMR (DMSO-d6, 235 MHz) δ (ppm) −157.15 (s, 1F) Scan ES+ 293 (M+H)+, UV λmax 275 nm

Sources & evidence

ORD record
ord-35d0c3cd9b81490abe77f873e708e4d9
Source dataset
uspto-grants-2011_05
Patent number
US07951789B2

Reaction notes

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