HCID 67236455, compound → HCID 53251173, compound

HRID 2092160Notes

Reaction equation

HRID 2092160 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]([F: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>O>[F:28][C:25]1[CH:26]=[C:27]2[C:22](=[CH:23][CH:24]=1)[O:21][CH2:20][CH2:19][CH:18]2[NH:17][C:15]([NH:14][C:9]1[CH:10]=[CH:11][CH:12]=[C:13]2[C:8]=1[CH:7]=[N:6][NH:5]2)=[O:16]

Participants

4

Reactant 2

HCID 67236455HCID 67236455, compoundHCID 67236597HCID 67236597, compound

Product 1

HCID 53251173HCID 53251173, compound

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

The title compound was prepared using the procedure as described in Example 1E, substituting the product of Example 10C for the product of Example 1D. 1H NMR (300 MHz, DMSO-d6) δ 13.00 (broad s, 1H), 8.60 (s, 1H), 8.02 (s, 1H), 7.67 (d, J=7.5 Hz, 1H), 7.21 (m, 1H), 7.08-7.00 (m, 3H), 6.92-6.80 (m, 2H), 4.92 (m, 1H), 4.35-4.11 (m, 2H), 2.20-1.93 (m, 2H). MS (DCI) m/e 327 (M+H)+. Calcd. For C17H15N4O2F.0.1; H2O: C, 62.23; H, 4.67; N, 17.07. Found: C, 62.31; H, 4.46; N, 16.74.

Sources & evidence

ORD record
ord-54883b0265f44dfb8a0758ace9dd904e
Source dataset
uspto-grants-2013_05
Patent number
US08440691B2

Reaction notes

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