HRID2193666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1

HCID59424455

未命名化合物

结构：Cn1ccnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1

HCID59424480

未命名化合物

结构：Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4OF)cc3F)c2s1

HCID66648945

未命名化合物

PRODUCTS

生成物

结构：CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5F)cc4F)c3s2)c1

HCID16041962

未命名化合物

收率 42%

PROCEDURE

实验过程

Following the procedure described above for the compound 30a (example 12, step 2) but substituting amine 9 for the amine 15, title compound 30b was obtained in 42% yield. 1H NMR (DMSO-d6) δ (ppm): 10.55 (s, 1H), 10.05 (s, 1H), 8.41 (d, 1H), 7.97 (m, 1H), 7.95 (s, 1H), 7.85 (dd, 1H), 7.77 (d, 1H), 7.65 (s, 1H), 7.45 (dd, 1H), 7.41 (dd, 1H), 7.26 (m, 1H), 7.16 (m, 1H), 6.57 (d, 1H), 4.03 (q, 2H), 3.60 (s, 2H), 1.38 (t, 3H). MS (m/z): 534.0 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ee9955d4bb5494a9d051d1a0fb26d80
来源数据集: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08329726B2
来源说明: uspto-grants-2012_12

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([NH:24][C:25](=[O:38])[CH2:26][C:27]([NH:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=2OF)=[O:28])[CH:5]=[CH:6][C:7]=1[O:8][C:9]1[CH:14]=[CH:13][N:12]=[C:11]2[CH:15]=[C:16](C3N(C)C=CN=3)[S:17][C:10]=12.[F:39]C1C=C(N)C=CC=1OC1C=CN=C2C=C(C3N(C)C=CN=3)SC=12.[CH2:63]([N:65]1[CH:69]=[C:68](C2SC3C(=NC=CC=3OC3C=CC(N)=CC=3F)C=2)[N:67]=[CH:66]1)[CH3:64]>>[CH2:63]([N:65]1[CH:69]=[C:68]([C:16]2[S:17][C:10]3[C:11](=[N:12][CH:13]=[CH:14][C:9]=3[O:8][C:7]3[CH:6]=[CH:5][C:4]([NH:24][C:25](=[O:38])[CH2:26][C:27]([NH:29][C:30]4[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=4[F:39])=[O:28])=[CH:3][C:2]=3[F:1])[CH:15]=2)[N:67]=[CH:66]1)[CH3:64]