HRID716527

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)NCC(=O)N1CCC[C@H]1C(=O)Nc1cn2cc(Br)sc2n1

HCID67239851

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)CNC(=O)OC(C)(C)C)nc4s3)cc2)[nH]1)C(C)C

HCID68329114

未命名化合物

收率 8%

PROCEDURE

实验过程

Compound A39 was synthesized from compound 28 (0.106 mmol) and compound 8 (0.159 mmol), following the procedure as described for compound A1 (reaction time=2.5 hrs), as a white lyophilized powder in 8% yield. MS (ESI, EI+) m/z=762.27 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b741228827bd4ced9c974b6cee8b28c1
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:28])[NH:7][CH2:8][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].[CH3:29][O:30][C:31](=[O:64])[NH:32][C@H:33]([C:37]([N:39]1[CH2:43][CH2:42][CH2:41][C@H:40]1[C:44]1[NH:45][C:46]([C:49]2[CH:54]=[CH:53][C:52](B3OC(C)(C)C(C)(C)O3)=[CH:51][CH:50]=2)=[CH:47][N:48]=1)=[O:38])[CH:34]([CH3:36])[CH3:35]>>[CH3:29][O:30][C:31](=[O:64])[NH:32][C@H:33]([C:37]([N:39]1[CH2:43][CH2:42][CH2:41][C@H:40]1[C:44]1[NH:45][C:46]([C:49]2[CH:50]=[CH:51][C:52]([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])[CH2:8][NH:7][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:28])=[O:27])=[CH:25][N:24]4[CH:23]=3)=[CH:53][CH:54]=2)=[CH:47][N:48]=1)=[O:38])[CH:34]([CH3:36])[CH3:35]