HCID 67236084, compound → HCID 53251330, compound

HRID 1158797Notes

Reaction equation

COC([N:5]1[C:13]2[C:8](=[C:9]([NH:14][C:15]([NH:17][CH:18]3[C:27]4[C:22](=[CH:23][CH:24]=[C:25]([CH3:28])[CH:26]=4)[O:21][CH2:20][CH2:19]3)=[O:16])[CH:10]=[CH:11][CH:12]=2)[CH:7]=[N:6]1)=O.COC(N1C2C(=C(NC(NC3C4C(=CC(C(C)(C)C)=CC=4)OCC3)=O)C=CC=2)C=N1)=O>>[NH:5]1[C:13]2[C:8](=[C:9]([NH:14][C:15]([NH:17][CH:18]3[C:27]4[C:22](=[CH:23][CH:24]=[C:25]([CH3:28])[CH:26]=4)[O:21][CH2:20][CH2:19]3)=[O:16])[CH:10]=[CH:11][CH:12]=2)[CH:7]=[N:6]1

Participants

Reactant 2

HCID 67236084HCID 67236084, compound

HCID 67236455HCID 67236455, compound

Product 1

HCID 53251330HCID 53251330, compound

Procedure

The title compound was prepared using the procedure as described in Example 1E, substituting the product of Example 7C for the product of Example 1D. 1H NMR (300 MHz, DMSO-d6) δ 13.00 (broad s, 1H), 8.56 (s, 1H), 8.02 (s, 1H), 7.67 (d, J=7.5 Hz, 1H), 7.20 (m, 1H), 7.12-6.94 (m, 3H), 6.86 (d, J=7.5 Hz, 1H), 6.70 (d, J=7.5 Hz, 1H), 4.92 (m, 1H), 4.33-4.00 (m, 2H), 2.22 (s, 3H), 2.20-1.93 (m, 2H). MS (ESI) m/e (M+H)+. Calcd. For C18H18N4O2.0.9H2O0.25NaCl: C, 61.21; H, 5.65; N, 15.86. Found: C, 61.02; H, 5.74; N, 15.84.

Sources & evidence

ORD record: ord-9d0af1ca57f941509392c503738c2dc7
Source dataset: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07812019B2

Reaction notes

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