HRID1504349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)N[C@H](C(=O)N1C[C@@H](C#N)C[C@H]1c1nc(-c2ccc(-c3cc(Cl)c(NC(=O)c4ccc(N5CCN(C(=O)OC(C)(C)C)C[C@H]5C)nc4)cc3OC(F)(F)F)cc2)c[nH]1)C(C)C

HCID178502453

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N[C@H](C(=O)N1C[C@@H](C(N)=O)C[C@H]1c1nc(-c2ccc(-c3cc(Cl)c(NC(=O)c4ccc(N5CCNC[C@H]5C)nc4)cc3OC(F)(F)F)cc2)c[nH]1)C(C)C

HCID178502454

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID313

Hydrochloric Acid

ClH

PROCEDURE

实验过程

A solution of (R)-4-[5-(5-chloro-4′-{2-[(2S,4S)-4-cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-1H-imidazol-4-yl}-2-trifluoromethoxy-biphenyl-4-ylcarbamoyl)-pyridin-2-yl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester 2 TFA (6.3 mg, 0.0055 mmol; Example 17) in 4.0 M HCl in 1,4-dioxane (0.14 mL) was stirred at RT for 1 h and concentrated under vacuum to provide the title intermediate as a yellow powder. (m/z): [M+H]+ calcd for C39H43ClF3N9O6 826.30. found 826.5.

WORKUP

后处理

concentrationconcentrated under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abc98b6d5f5640289465b6e9eb73f1e5
来源数据集: uspto-grants-2015_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09212168B2
来源说明: uspto-grants-2015_12

反应 SMILES

C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][C:17]([C:20](=[O:63])[NH:21][C:22]3[C:27]([Cl:28])=[CH:26][C:25]([C:29]4[CH:34]=[CH:33][C:32]([C:35]5[N:36]=[C:37]([C@@H:40]6[CH2:44][C@H:43]([C:45]#[N:46])[CH2:42][N:41]6[C:47](=[O:57])[C@@H:48]([NH:52][C:53]([O:55][CH3:56])=[O:54])[CH:49]([CH3:51])[CH3:50])[NH:38][CH:39]=5)=[CH:31][CH:30]=4)=[C:24]([O:58][C:59]([F:62])([F:61])[F:60])[CH:23]=3)=[CH:16][N:15]=2)[C@H:10]([CH3:64])[CH2:9]1)=O)(C)(C)C.[O:65]1CCOCC1>Cl>[CH3:56][O:55][C:53](=[O:54])[NH:52][C@H:48]([C:47]([N:41]1[CH2:42][C@@H:43]([C:45](=[O:65])[NH2:46])[CH2:44][C@H:40]1[C:37]1[NH:38][CH:39]=[C:35]([C:32]2[CH:33]=[CH:34][C:29]([C:25]3[CH:26]=[C:27]([Cl:28])[C:22]([NH:21][C:20]([C:17]4[CH:16]=[N:15][C:14]([N:11]5[CH2:12][CH2:13][NH:8][CH2:9][C@H:10]5[CH3:64])=[CH:19][CH:18]=4)=[O:63])=[CH:23][C:24]=3[O:58][C:59]([F:60])([F:61])[F:62])=[CH:30][CH:31]=2)[N:36]=1)=[O:57])[CH:49]([CH3:50])[CH3:51]