HRID418590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccccc1NC(=O)CC(=O)Nc1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1

HCID16040869

未命名化合物

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

HCID59424455

未命名化合物

PRODUCTS

生成物

结构：CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5OC)cc4F)c3s2)c1

HCID16040870

未命名化合物

收率 69%

PROCEDURE

实验过程

Following the procedure described above for the compound 28a (example 8, step 2) but replacing amine 9 for amine 15, title compound 28b was obtained in 69% yield. 1H NMR (DMSO-d6) δ (ppm): 10.78 (s, 1H), 9.62 (s, 1H), 8.66 (d. 1H), 8.37 (broad, s, 1H), 8.33 (s, 1H), 8.05 (dd, 1H), 7.94 (s, 1H), 7.92 (dd, 1H), 7.55 (t, 1H), 7.47 (dd, 1H), 7.07 (m, 2H), 6.96 (d, 1H), 6.89 (m, 1H), 4.13 (q, 2H), 3.84 (s, 2H), 1.42 (t, 3H). MS (m/z): 546.0 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5626a8c17ed64c918f8baf4899a1b0ca
来源数据集: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08093264B2
来源说明: uspto-grants-2012_01

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]=2[O:36][CH3:37])=[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.[CH2:39]([N:41]1[CH:45]=[C:44](C2SC3C(=NC=CC=3OC3C=CC(N)=CC=3F)C=2)[N:43]=[CH:42]1)[CH3:40]>>[CH2:39]([N:41]1[CH:45]=[C:44]([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[O:36][CH3:37])=[O:28])=[CH:3][C:2]=3[F:1])[CH:15]=2)[N:43]=[CH:42]1)[CH3:40]