HRID2193739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccccc1NC(=O)CC(=O)Nc1ccc(Oc2ccnc3cc(C(=O)NN(C)C)sc23)c(F)c1

HCID16040873

未命名化合物

结构：CN(C)N(C)C(=O)c1cc2nccc(Oc3ccc(N)cc3F)c2s1

HCID58790202

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1NC(=O)CC(=O)Nc1ccc(Oc2ccnc3cc(C(=O)N(C)N(C)C)sc23)c(F)c1

HCID16040875

未命名化合物

收率 43%

PROCEDURE

实验过程

Following the procedure described above for compound 236 (step 4, example 95, scheme 63) but replacing amine 239 with 7-(4-amino-2-fluorophenoxy)-N,N′,N′-trimethylthieno[3,2-b]pyridine-2-carbohydrazide (244), title compound 241 was obtained in 43% yield. 1H NMR (400 MHz, DMSO-d6) δ (ppm): 10.45 (s, 1H), 8.45 (d, J=5.4 Hz, 1H), 7.79 (d, J=13.3 Hz, 1H), 7.67 (s, 1H), 7.62-7.31 (m, 7H), 6.62 (d, J=5.4 Hz, 1H), 3.40 (s, 9H), 3.23 (s, 2H), 3.21 (s, 3H). MS (m/z): (M+1) 536.2 (100%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c4720c4e31344a4afc92fd9727dbd6e
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

[CH3:1][N:2]([CH3:38])[NH:3][C:4]([C:6]1[S:14][C:13]2[C:8](=[N:9][CH:10]=[CH:11][C:12]=2[O:15][C:16]2[CH:21]=[CH:20][C:19]([NH:22][C:23](=[O:36])[CH2:24][C:25]([NH:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=3[O:34][CH3:35])=[O:26])=[CH:18][C:17]=2[F:37])[CH:7]=1)=[O:5].N[C:40]1C=CC(OC2C=CN=C3C=C(C(N(C)N(C)C)=O)SC=23)=C(F)C=1>>[F:37][C:17]1[CH:18]=[C:19]([NH:22][C:23](=[O:36])[CH2:24][C:25]([NH:27][C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[O:34][CH3:35])=[O:26])[CH:20]=[CH:21][C:16]=1[O:15][C:12]1[CH:11]=[CH:10][N:9]=[C:8]2[CH:7]=[C:6]([C:4]([N:3]([CH3:40])[N:2]([CH3:1])[CH3:38])=[O:5])[S:14][C:13]=12