HRID716518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1)C(C)C

HCID57462153

未命名化合物

HCID58310246

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cn4cc(NC(=O)OC(C)(C)C)nc4s3)cc2)[nH]1)C(C)C

HCID68329041

未命名化合物

收率 22%

PROCEDURE

实验过程

Compound A35 was synthesized from compound 10 (0.126 mmol) and compound 8 (0.164 mmol), following the procedure as described for compound A1, as a white lyophilized solid in 22% yield. MS (ESI, EI+) m/z=608.35 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f863ef0178c42818c16c6fd0ba35fbe
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09187496B2
来源说明: uspto-grants-2015_11

反应 SMILES

[C:1]([O:5][C:6](=[O:17])[NH:7][C:8]1[N:9]=[C:10]2[N:14]([CH:15]=1)[CH:13]=[C:12](Br)[S:11]2)([CH3:4])([CH3:3])[CH3:2].[CH3:18][O:19][C:20](=[O:53])[NH:21][C@H:22]([C:26]([N:28]1[CH2:32][CH2:31][CH2:30][C@H:29]1[C:33]1[NH:34][C:35]([C:38]2[CH:43]=[CH:42][C:41](B3OC(C)(C)C(C)(C)O3)=[CH:40][CH:39]=2)=[CH:36][N:37]=1)=[O:27])[CH:23]([CH3:25])[CH3:24]>>[C:1]([O:5][C:6](=[O:17])[NH:7][C:8]1[N:9]=[C:10]2[N:14]([CH:15]=1)[CH:13]=[C:12]([C:41]1[CH:42]=[CH:43][C:38]([C:35]3[NH:34][C:33]([C@@H:29]4[CH2:30][CH2:31][CH2:32][N:28]4[C:26](=[O:27])[C@@H:22]([NH:21][C:20]([O:19][CH3:18])=[O:53])[CH:23]([CH3:25])[CH3:24])=[N:37][CH:36]=3)=[CH:39][CH:40]=1)[S:11]2)([CH3:4])([CH3:3])[CH3:2]