HCID 87596239, compound → HCID 87596683, compound

HRID 225781Notes

Reaction equation

C[O:2][C:3](=[O:37])[CH:4]([NH:25][C:26]1[C:29]2([CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]2)[C:28](=[O:35])[C:27]=1[Cl:36])[CH2:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[N:11]([C:15](=[O:24])[C:16]1[C:21]([Cl:22])=[CH:20][CH:19]=[CH:18][C:17]=1[Cl:23])[CH2:10][CH2:9]2.ClC1C=NC=C(Cl)C=1C(N1C2C(=CC(CC(NC3C4(CCCCC4)C(=O)C=3)C(O)=O)=CC=2)CC1)=O>>[Cl:36][C:27]1[C:28](=[O:35])[C:29]2([CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]2)[C:26]=1[NH:25][CH:4]([CH2:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[N:11]([C:15](=[O:24])[C:16]1[C:21]([Cl:22])=[CH:20][CH:19]=[CH:18][C:17]=1[Cl:23])[CH2:10][CH2:9]2)[C:3]([OH:37])=[O:2]

Participants

Reactant 2

HCID 87596239HCID 87596239, compound

HCID 87596634HCID 87596634, compound

Product 1

HCID 87596683HCID 87596683, compound

Procedure

The title compound was prepared from the compound of Example 12 in a similar manner to the compound of Example 2 as a white lyophilised powder (82%). δH NMR (d6 DMSO), 8.71 (0.8H, J 9.2 Hz), 8.61 (0.2H, d, J 9.5 Hz), 8.05 (0.8H, d, J 8.2 Hz), 7.56 (3H, br m), 7.14 (2H, m), 6.71 (0.2H, d, J 6.9 Hz), 5.51 (0.2H, d, J 8.4 Hz), 4.60 (0.8H, m), 4.49 (0.2H, m), 4.20 (0.4H, m), 3.71 (1.6H, t, J 8.5 Hz), 3.21 (0.8H, m), 3.11 (2H, m), 2.99 (0.8H, dd, J 13.8 and 9.5 Hz), 2.82 (0.2H, dd, J 13.7 and 10.3 Hz) 1.44 (10H, br m); m/z (ES+, 70 eV) 549 (M+H)+.

Sources & evidence

ORD record: ord-7a2d82b93a8a4d58aed77d3980c5ac92
Source dataset: uspto-grants-2009_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07557130B2

Reaction notes

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