HCID 68458136, compound → HCID 91449898, compound

HRID 502674Notes

Reaction equation

[CH3:1][N:2]([CH3:34])[CH2:3][CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[O:27][C:15]3[N:16]=[CH:17][N:18]=[C:19](NCC4CCCS4)[C:14]=3[C:13]=2[C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)=[CH:8][CH:7]=1.FC(F)(F)C([O-])=O.[O:42]=[S:43]1(=[O:50])[CH2:47][CH2:46][CH2:45][CH:44]1[CH2:48][NH3+:49]>>[CH3:1][N:2]([CH3:34])[CH2:3][CH2:4][O:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]2[O:27][C:15]3[N:16]=[CH:17][N:18]=[C:19]([NH:49][CH2:48][CH:44]4[CH2:45][CH2:46][CH2:47][S:43]4(=[O:50])=[O:42])[C:14]=3[C:13]=2[C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)=[CH:10][CH:11]=1

Participants

Reactant 2

HCID 68458136HCID 68458136, compound

HCID 68463972HCID 68463972, compound

Product 1

HCID 91449898HCID 91449898, compound

Procedure

Prepared by the method of 233 using (1,1-Dioxotetrahydrothiophen-2-yl)methylammonium trifluoroacetate (229). 1H NMR (D2O): 8.28 (1H, s); 7.62 (3H, br s); 7.52-7.40 (4H, m); 6.94 (2H, d, J=10 Hz); 4.42-4.34 (2H, m); 3.84 (1H, dd, J=12, 6 Hz); 3.72 (1H, dd, J=12, 8 Hz); 3.20-3.01 (2H, m); 3.54-3.43 (1H, m); 3.35-3.23 (1H, m); 3.15-3.09 (1H, m); 3.00 (6H, s); 2.48-2.35 (1H, m), 2.30-2.15 (2H, m) and 1.90-1.78 (1H, m). LC/MS: 507 (MH+).

Sources & evidence

ORD record: ord-e67823208435409f834cbd8c9dd6d1ce
Source dataset: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07776867B2

Reaction notes

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