HRID716523

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

结构：CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn2cc(Br)sc2n1)c1ccccc1

HCID67241361

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)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5)nc4s3)cc2)[nH]1)C(C)C

HCID68329046

未命名化合物

收率 10%

PROCEDURE

实验过程

Compound A38 was synthesized from compound 23 (0.091 mmol) and compound 8 (0.137 mmol), following the procedure as described for compound A1 (reaction time=1 hr), as a white lyophilized powder in 10% yield. MS (ESI, EI+) m/z=838.39 (MH+)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70bf4d653d4d42faa1b83eb46a1d56d2
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:34])[NH:7][C@@H:8]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[C:9]([N:11]1[CH2:15][CH2:14][CH2:13][C@H:12]1[C:16](=[O:27])[NH:17][C:18]1[N:19]=[C:20]2[N:24]([CH:25]=1)[CH:23]=[C:22](Br)[S:21]2)=[O:10])([CH3:4])([CH3:3])[CH3:2].[CH3:35][O:36][C:37](=[O:70])[NH:38][C@H:39]([C:43]([N:45]1[CH2:49][CH2:48][CH2:47][C@H:46]1[C:50]1[NH:51][C:52]([C:55]2[CH:60]=[CH:59][C:58](B3OC(C)(C)C(C)(C)O3)=[CH:57][CH:56]=2)=[CH:53][N:54]=1)=[O:44])[CH:40]([CH3:42])[CH3:41]>>[CH3:35][O:36][C:37](=[O:70])[NH:38][C@H:39]([C:43]([N:45]1[CH2:49][CH2:48][CH2:47][C@H:46]1[C:50]1[NH:51][C:52]([C:55]2[CH:56]=[CH:57][C:58]([C:22]3[S:21][C:20]4=[N:19][C:18]([NH:17][C:16]([C@@H:12]5[CH2:13][CH2:14][CH2:15][N:11]5[C:9](=[O:10])[C@@H:8]([NH:7][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:34])[C:28]5[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=5)=[O:27])=[CH:25][N:24]4[CH:23]=3)=[CH:59][CH:60]=2)=[CH:53][N:54]=1)=[O:44])[CH:40]([CH3:42])[CH3:41]