HRID2204982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21863450

未命名化合物

结构：CCCCCCCCCCCC(=O)NC[C@H](CSC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)NC(=O)CCCCCCCCCCC

HCID71294480

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCC(=O)NC[C@H](CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)CCCCCCCCCCC

HCID71294513

未命名化合物

PROCEDURE

实验过程

(5R,9R)-tert-butyl 9-dodecanamido-3,12-dioxo-1-phenyl-2-oxa-7-thia-4,11-diazatricosane-5-carboxylate was stirred in a 30% TFA/DCM (0.05 M) solution for 2 hours at room temperature. The reaction was then concentrated and diluted with DCM. The organic phase was washed once with 1 M citric acid (pH3) then dried over anhydrous Na2SO4, filtered and concentrated to afford the title compound as a viscous oil that was used with no further purification.

WORKUP

后处理

concentrationThe reaction was then concentrated
additiondiluted with DCM
washThe organic phase was washed once with 1 M citric acid (pH3)
dry with materialthen dried over anhydrous Na2SO4
filtrationfiltered
concentrationconcentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a54c87ed054a4ff080242d487556066a
来源数据集: uspto-grants-2016_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09365506B2
来源说明: uspto-grants-2016_06

反应 SMILES

[C:1]([NH:14][C@H:15]([CH2:38][NH:39][C:40](=[O:52])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[CH2:16][S:17][CH2:18][C@@H:19]([C:31]([O:33]C(C)(C)C)=[O:32])[NH:20][C:21](=[O:30])[O:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)(=[O:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].C(O)(C(F)(F)F)=O.C(Cl)Cl>>[C:1]([NH:14][C@H:15]([CH2:38][NH:39][C:40](=[O:52])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[CH2:16][S:17][CH2:18][C@@H:19]([C:31]([OH:33])=[O:32])[NH:20][C:21](=[O:30])[O:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)(=[O:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12]