HRID924451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2ccncc2NC(=O)c2nc3cc(N4CCOCC4)ccc3cc2NC(=O)OCc2ccccc2)C1

HCID86726895

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2nc3cc(N4CCOCC4)ccc3cc2NC(=O)OCc2ccccc2)C1

HCID86726897

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

To the amide intermediate, 1 mL of 4 M HCl in dioxane and 1 mL of MeOH were added. The mixture was stirred at room temperature for 1 h, then concentrated under reduced pressure to give the sub-title compound as a HCl salt. LCMS calc. for C33H38N7O4 [M+H]+: m/z=596.3. found: 596.3.

WORKUP

后处理

concentrationconcentrated under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1bea5d130df418e978947e24e2147f6
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09278950B2
来源说明: uspto-grants-2016_03

反应 SMILES

C(OC([NH:8][C@H:9]1[CH2:14][C@@H:13]([CH3:15])[CH2:12][N:11]([C:16]2[CH:21]=[CH:20][N:19]=[CH:18][C:17]=2[NH:22][C:23]([C:25]2[C:34]([NH:35][C:36](=[O:45])[O:37][CH2:38][C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)=[CH:33][C:32]3[C:27](=[CH:28][C:29]([N:46]4[CH2:51][CH2:50][O:49][CH2:48][CH2:47]4)=[CH:30][CH:31]=3)[N:26]=2)=[O:24])[CH2:10]1)=O)(C)(C)C.[ClH:52]>O1CCOCC1.CO>[NH2:8][C@H:9]1[CH2:14][C@@H:13]([CH3:15])[CH2:12][N:11]([C:16]2[CH:21]=[CH:20][N:19]=[CH:18][C:17]=2[NH:22][C:23]([C:25]2[C:34]([NH:35][C:36](=[O:45])[O:37][CH2:38][C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)=[CH:33][C:32]3[C:27](=[CH:28][C:29]([N:46]4[CH2:47][CH2:48][O:49][CH2:50][CH2:51]4)=[CH:30][CH:31]=3)[N:26]=2)=[O:24])[CH2:10]1.[ClH:52]