HCID 22614804, compound → HCID 22614814, compound

HRID 842618Notes

Reaction equation

[Cl:1][C:2]1[N:3]=[C:4]2[C:10]([N:11]=[C:12]=[O:13])=[C:9]([C:14]([O:16]CC)=O)[S:8][C:5]2=[N:6][CH:7]=1.[CH3:19][O:20][C:21]1[C:26]2[N:27]3[CH2:34][CH2:33][N:32]([CH2:35][CH2:36][NH2:37])[CH2:31][CH:28]3[CH2:29][O:30][C:25]=2[CH:24]=[CH:23][CH:22]=1>>[ClH:1].[ClH:1].[CH3:19][O:20][C:21]1[C:26]2[N:27]3[CH2:34][CH2:33][N:32]([CH2:35][CH2:36][N:37]4[C:14](=[O:16])[C:9]5[S:8][C:5]6[N:6]=[CH:7][C:2]([Cl:1])=[N:3][C:4]=6[C:10]=5[NH:11][C:12]4=[O:13])[CH2:31][CH:28]3[CH2:29][O:30][C:25]=2[CH:24]=[CH:23][CH:22]=1

Participants

Reactant 2

HCID 22614804HCID 22614804, compound

HCID 22614813HCID 22614813, compound

Product 1

HCID 22614814HCID 22614814, compound

Procedure

The product from Example 8D and the product from Example 8E were processed as described in Example 1L to provide the title compound. mp 280-283° C.; [α]23D+19.30° (c 1.03, DMSO); 1H NMR (300 MHz, DMSO-d6) δ2.95-3.80 (m, 7H), 3.80 (s, 3H), 3.86-4.75(m, 6H), 6.44-6.95 (m, 3H), 9.03 (s, 1H), 10.80 (bs, 1H), 13.03 (s, 1H); MS (DCI/NH3) m/e 501 (M+H)+; Anal. calcd for C22H21N6O4SCl.2.2 HCl: C, 45.47; H, 4.02; N, 14.46. Found: C, 45.44; H, 3.81; N, 14.34.

Sources & evidence

ORD record: ord-df8d52ba440344359d04ecc71b072be0
Source dataset: uspto-grants-2002_04
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06376488B1

Reaction notes

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