HCID 136027611, compound → HCID 136027598, compound

HRID 1428865Notes

Reaction equation

[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6](=[O:20])[NH:7][C:8]([N:12]3[CH:16]=[C:15]([C:17]([OH:19])=[O:18])[CH:14]=[N:13]3)=[N:9]2)=[CH:4][C:3]=1[S:21][C:22]([F:25])([F:24])[F:23].C([O:28]C(C1C=NN(C2NC(=O)C3C(=CC=C(SC)C=3)N=2)C=1)=O)C>>[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6](=[O:20])[NH:7][C:8]([N:12]3[CH:16]=[C:15]([C:17]([OH:19])=[O:18])[CH:14]=[N:13]3)=[N:9]2)=[CH:4][C:3]=1[S:21]([C:22]([F:24])([F:23])[F:25])=[O:28]

Participants

Reactant 2

HCID 136027611HCID 136027611, compound

HCID 136337185HCID 136337185, compound

Product 1

HCID 136027598HCID 136027598, compound

Procedure

The titled compound was prepared in a manner analogous to Example 157 using 1-(7-chloro-4-oxo-6-trifluoromethanesulfanyl-3,4-dihydro-quinazolin-2-yl)-1H-pyrazole-4-carboxylic acid (Intermediate from Example 159, product from Step A) for 1-(6-methylsulfanyl-4-oxo-3,4-dihydro-quinazolin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester in step A. MS (ESI/Cl): mass calcd. for C13H6ClF3N4O4S, 406.0; m/z found, 407.0 [M+H]+; 405.0 [M−H]−. 1H NMR (400 MHz, DMSO-d6): 13.46 (br s, 1H), 13.12 (s, 1H), 8.97 (d, J=0.6 Hz, 1H), 8.54 (s, 1H), 8.33 (s, 1H), 8.03 (s, 1H).

Sources & evidence

ORD record: ord-870d7893278e4103805f1425119a0351
Source dataset: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08937078B2

Reaction notes

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