Uracil → HCID 86700261, compound

HRID 879452Notes

Reaction equation

HRID 879452 reaction equation
[C:1]([O:5][C@@H:6]([C:10]1[C:33]([CH3:34])=[CH:32][C:13]2[N:14]=[C:15]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([N:23]4[CH:28]=[C:27](C)[C:26](=[O:30])[NH:25][C:24]4=[O:31])[CH:18]=3)[S:16][C:12]=2[C:11]=1[C:35]1[CH:40]=[CH:39][C:38]([Cl:41])=[CH:37][CH:36]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].N1C=CC(=O)NC1=O>>[C:1]([O:5][C@@H:6]([C:10]1[C:33]([CH3:34])=[CH:32][C:13]2[N:14]=[C:15]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([N:23]4[CH:28]=[CH:27][C:26](=[O:30])[NH:25][C:24]4=[O:31])[CH:18]=3)[S:16][C:12]=2[C:11]=1[C:35]1[CH:36]=[CH:37][C:38]([Cl:41])=[CH:39][CH:40]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:2])[CH3:3]

Participants

3

Reactant 2

HCID 1174UracilHCID 72195977HCID 72195977, compound

Product 1

HCID 86700261HCID 86700261, compound

Procedure

Prepared in a similar manner as (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)phenyl)benzo[d]thiazol-6-yl)acetic acid, except starting with uracil instead of thymine. LCMS-ESI+: calc'd for C30H279ClN3O5S: 576.1 (M+H+); Found: 576.2 (M+H+). 1H NMR (400 MHz, CD3OD) δ 8.10-8.02 (m, 1H), 7.95 (t, J=1.8 Hz, 1H), 7.83 (s, 1H), 7.72-7.54 (m, 6H), 7.50 (d, J=7.7 Hz, 1H), 7.44-7.37 (m, 1H), 5.81 (d, J=7.7 Hz, 1H), 5.25 (s, 1H), 2.60 (s, 3H), 0.96 (s, 9H).

Sources & evidence

ORD record
ord-a4bd41fa093b4d298aab14391405c735
Source dataset
uspto-grants-2015_03
Patent number
US08987250B2

Reaction notes

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