HRID593040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ncc(-c2ccnc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc1Nc1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cn1

HCID86726161

未命名化合物

PRODUCTS

生成物

结构：C[C@H]1CNCCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)c[nH]c2=O)nc1

HCID86726162

未命名化合物

收率 189.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID20443148

1,4-Dioxane hydrochloride

C4H9ClO2

PROCEDURE

实验过程

A solution of 271b (286.6 mg, 0.40 mmol) in dioxane/HCl (30 mL) was stirred at 50° C. for 2 h. It was evaporated under reduced pressure to afford 271c (450 mg, crude) as a black solid. MS-ESI: [M+H]+ 595.3

WORKUP

后处理

customIt was evaporated under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3b3a490780e44edbf13b3b755b0c3c6
来源数据集: uspto-grants-2016_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09238655B2
来源说明: uspto-grants-2016_01

反应 SMILES

[CH3:1][C:2]1([CH3:52])[CH2:13][C:12]2[CH:11]=[C:10]3[N:5]([CH2:6][CH2:7][N:8]([C:15]4[C:20]([CH2:21][OH:22])=[C:19]([C:23]5[CH:24]=[C:25]([NH:31][C:32]6[N:37]=[CH:36][C:35]([N:38]7[CH2:43][CH2:42][N:41](C(OC(C)(C)C)=O)[CH2:40][C@@H:39]7[CH3:51])=[CH:34][CH:33]=6)[C:26]([O:29]C)=[N:27][CH:28]=5)[CH:18]=[CH:17][N:16]=4)[C:9]3=[O:14])[C:4]=2[CH2:3]1>O1CCOCC1.Cl>[OH:22][CH2:21][C:20]1[C:15]([N:8]2[CH2:7][CH2:6][N:5]3[C:10](=[CH:11][C:12]4[CH2:13][C:2]([CH3:52])([CH3:1])[CH2:3][C:4]=43)[C:9]2=[O:14])=[N:16][CH:17]=[CH:18][C:19]=1[C:23]1[CH:24]=[C:25]([NH:31][C:32]2[CH:33]=[CH:34][C:35]([N:38]3[CH2:43][CH2:42][NH:41][CH2:40][C@@H:39]3[CH3:51])=[CH:36][N:37]=2)[C:26](=[O:29])[NH:27][CH:28]=1