HCID 59485920, compound → HCID 59485852, compound

HRID 1972265Notes

Reaction equation

HRID 1972265 reaction equation
[Cl:1][C:2]1[CH:33]=[CH:32][C:5]([O:6][C:7]2[CH:12]=[CH:11][C:10]([N:13]3[CH:17]([C:18]4[CH:23]=[CH:22][CH:21]=[C:20]([OH:24])[CH:19]=4)[CH2:16][N:15]([CH2:25][CH2:26][S:27]([CH3:30])(=[O:29])=[O:28])[C:14]3=[O:31])=[CH:9][CH:8]=2)=[CH:4][CH:3]=1>FC1C=CC=CC=1C#N>[C:17]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[O:24][C:20]1[CH:19]=[C:18]([CH:17]2[CH2:16][N:15]([CH2:25][CH2:26][S:27]([CH3:30])(=[O:28])=[O:29])[C:14](=[O:31])[N:13]2[C:10]2[CH:9]=[CH:8][C:7]([O:6][C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:33][CH:32]=3)=[CH:12][CH:11]=2)[CH:23]=[CH:22][CH:21]=1)#[N:13]

Participants

3

Reactant 1

HCID 59485920HCID 59485920, compound

Product 1

HCID 59485852HCID 59485852, compound

Reagents, catalysts & solvents 1

HCID 678552-FluorobenzonitrileSolvent

Procedure

The title compound is prepared as described in Example 276 from Example 290 and 2-fluorobenzonitrile. 1H NMR (CDCl3) δ 7.66 (dd, J=7.6, 1.6 Hz, 1H), 7.45-7.40 (m, 1H), 7.40-7.36 (m, 2H), 7.27-7.23 (m, 3H), 7.18-7.13 (m, 2H), 7.01-6.98 (m, 2H), 6.90-6.86 (m, 4H), 6.68 (dd, J=8.8, 0.8 Hz, 1H), 5.22 (dd, J=9.2, 6.8 Hz, 1H), 4.06 (t, J=9.2 Hz, 1H), 3.90-3.76 (m, 2H), 3.44-3.29 (m, 3H), 3.00 (s, 3H); HPLC-MS calculated for C31H26ClN3O5S (M+H+): 588.1, found 588.1.

Sources & evidence

ORD record
ord-82745311ccac42ef9cb4504dbc262f4c
Source dataset
uspto-grants-2013_04
Patent number
US08431607B2

Reaction notes

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