HRID1821456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1068

Dimethyl sulfide

C2H6S

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)COc2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)C(=O)OC(C)(C)C)cc1

HCID178482983

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)COc2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)C(=O)O)cc1

HCID178482982

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

Compound 30 (0.45 g, 0.37 mmol) was treated with 20 ml of a cleavage cocktail (10:10:1:1 TFA:CH2Cl2: Me2S: H2O). After one hour, the solvent was removed and the residue purified by RPHPLC. Fractions containing the product were combined, concentrated to a small volume and lyophilized to yield a yellow solid (0.23 g, 0.18 mmol, 49%, compound 32).

WORKUP

后处理

customthe solvent was removed
customthe residue purified by RPHPLC
additionFractions containing the product
concentrationconcentrated to a small volume

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d7964baaf0e45b1ab3cc37da22317a8
来源数据集: uspto-grants-2009_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07605175B2
来源说明: uspto-grants-2009_10

反应 SMILES

[NH2:1][C:2]1[N:11]=[C:10]([NH2:12])[C:9]2[C:4](=[N:5][CH:6]=[C:7]([CH2:13][N:14]([CH3:88])[C:15]3[CH:20]=[CH:19][C:18]([C:21]([NH:23][C@@H:24]([CH2:32][CH2:33][C:34](=[O:87])[NH:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][NH:53][C:54](=[O:86])[CH2:55][O:56][C:57]4[CH:62]=[CH:61][C:60]([C:63]5[NH:67][N:66]=[C:65]6[C:68]7[CH:69]=[CH:70][CH:71]=[C:72]([NH:76][C:77]([NH:79][N:80]8[CH2:85][CH2:84][O:83][CH2:82][CH2:81]8)=[O:78])[C:73]=7[C:74](=[O:75])[C:64]=56)=[CH:59][CH:58]=4)[C:25]([O:27]C(C)(C)C)=[O:26])=[O:22])=[CH:17][CH:16]=3)[N:8]=2)[N:3]=1.C(O)(C(F)(F)F)=O.C(Cl)Cl.S(C)C>O>[NH2:1][C:2]1[N:11]=[C:10]([NH2:12])[C:9]2[C:4](=[N:5][CH:6]=[C:7]([CH2:13][N:14]([CH3:88])[C:15]3[CH:16]=[CH:17][C:18]([C:21]([NH:23][C@@H:24]([CH2:32][CH2:33][C:34](=[O:87])[NH:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][NH:53][C:54](=[O:86])[CH2:55][O:56][C:57]4[CH:62]=[CH:61][C:60]([C:63]5[NH:67][N:66]=[C:65]6[C:68]7[CH:69]=[CH:70][CH:71]=[C:72]([NH:76][C:77]([NH:79][N:80]8[CH2:85][CH2:84][O:83][CH2:82][CH2:81]8)=[O:78])[C:73]=7[C:74](=[O:75])[C:64]=56)=[CH:59][CH:58]=4)[C:25]([OH:27])=[O:26])=[O:22])=[CH:19][CH:20]=3)[N:8]=2)[N:3]=1