HRID1481933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7488

1,4-Benzenedicarbonyl dichloride

C8H4Cl2O2

结构：C[C@@H](C(=O)N[C@H]1CNc2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)N(C)C(=O)OC(C)(C)C

HCID90220958

未命名化合物

2 次

PRODUCTS

生成物

结构：CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4nn(-c5ccccc5C#N)c5ccccc45)c4ccccc43)cc2)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O.Cl.Cl

HCID90221014

未命名化合物

收率 9.8%

PROCEDURE

实验过程

In a similar manner to that described for Example 22, ((S)-1-{(S)-1-[1-(2-cyano-phenyl)-1H-indazol-3-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylcarbamoyl}-ethyl)-methyl-carbamic acid tert-butyl ester (Intermediate 14) (262.9 mg, 0.443 mmol) and terephthaloyl chloride (45 mg, 0.222 mmol) were converted to the title compound (13 mg) as a white solid. LC-MS: 1118 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92a9e4ea0e2240d6be73e34ae103be6c
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09409888B2
来源说明: uspto-grants-2016_08

反应 SMILES

C(OC(=O)[N:7]([C@H:9]([C:11](=[O:43])[NH:12][C@@H:13]1[C:19](=[O:20])[N:18]([CH2:21][C:22]2[C:30]3[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=3)[N:24]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=3[C:37]#[N:38])[N:23]=2)[C:17]2[CH:39]=[CH:40][CH:41]=[CH:42][C:16]=2[NH:15][CH2:14]1)[CH3:10])[CH3:8])(C)(C)C.[C:45](Cl)(=[O:55])[C:46]1[CH:54]=[CH:53][C:49]([C:50]([Cl:52])=[O:51])=[CH:48][CH:47]=1>>[ClH:52].[ClH:52].[C:37]([C:32]1[CH:33]=[CH:34][CH:35]=[CH:36][C:31]=1[N:24]1[C:25]2[C:30](=[CH:29][CH:28]=[CH:27][CH:26]=2)[C:22]([CH2:21][N:18]2[C:17]3[CH:39]=[CH:40][CH:41]=[CH:42][C:16]=3[N:15]([C:45](=[O:55])[C:46]3[CH:54]=[CH:53][C:49]([C:50]([N:15]4[C:16]5[CH:42]=[CH:41][CH:40]=[CH:39][C:17]=5[N:18]([CH2:21][C:22]5[C:30]6[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=6)[N:24]([C:31]6[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=6[C:37]#[N:38])[N:23]=5)[C:19](=[O:20])[C@@H:13]([NH:12][C:11](=[O:43])[C@@H:9]([NH:7][CH3:8])[CH3:10])[CH2:14]4)=[O:51])=[CH:48][CH:47]=3)[CH2:14][C@H:13]([NH:12][C:11](=[O:43])[C@@H:9]([NH:7][CH3:8])[CH3:10])[C:19]2=[O:20])=[N:23]1)#[N:38]