HRID926399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：CC[C@@H](NC(=O)c1cc(C(=O)N2CCCC2C(=O)OC)n2c1COCC2)c1ccccc1

HCID126514448

未命名化合物

结构：CC[C@@H](NC(=O)c1cc(C(=O)N2CCCC2C(=O)OC(C)C)n2c1COCC2)c1ccccc1

HCID131735017

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)[C@H](C)N(C)C(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2

HCID71696589

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

The compound was obtained from comp. no. 16m as starting compound in analogy to the synthesis of comp. no. 16n. Isopropanol was replaced by ethanol to form the ester. LC/MS (method 4): Rt=1.24 min; m/z=454.27 (M+H+)

WORKUP

后处理

customThe compound was obtained from comp
customto the synthesis of comp

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3425e88514154b2b9c11d9a78cb34839
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09284333B2
来源说明: uspto-grants-2016_03

反应 SMILES

COC(C1CCCN1C(C1N2C(COCC2)=C(C(=O)N[C@@H](C2C=CC=CC=2)CC)C=1)=O)=O.[CH:33]([O:36][C:37]([CH:39]1[CH2:43]C[CH2:41][N:40]1[C:44]([C:46]1[N:54]2[C:49]([CH2:50][O:51][CH2:52][CH2:53]2)=[C:48]([C:55](=[O:66])[NH:56][C@@H:57]([C:60]2[CH:65]=[CH:64][CH:63]=[CH:62][CH:61]=2)[CH2:58][CH3:59])[CH:47]=1)=[O:45])=[O:38])(C)[CH3:34].C(O)(C)C>C(O)C>[CH2:33]([O:36][C:37](=[O:38])[C@@H:39]([N:40]([CH3:41])[C:44]([C:46]1[N:54]2[C:49]([CH2:50][O:51][CH2:52][CH2:53]2)=[C:48]([C:55](=[O:66])[NH:56][C@@H:57]([C:60]2[CH:61]=[CH:62][CH:63]=[CH:64][CH:65]=2)[CH2:58][CH3:59])[CH:47]=1)=[O:45])[CH3:43])[CH3:34]