HRID1715896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F

HCID151348

Tri(dimethylamino)benzotriazol-1-yloxyphosphonium hexafluorophosphate

C12H22F6N6OP2

HCID45036900

(5-Fluoro-1H-indol-1-yl)acetic acid

C10H8FNO2

结构：CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1

HCID59466120

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2ccccc21

HCID53627608

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

Synthesized according to general procedure 9, method A. The reaction was set up with 0.1 mmol 4-(3-methylpiperazin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide, 0.1 μmol 2-(5-fluoro-1H-indol-1-yl)acetic acid, 0.1 μmol BOP reagent, 0.1 mmol triethylamine and DMF (300 μL). LC/MS (100%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)), m/z: M+1 obs=510.4; tR=3.08 min.

WORKUP

后处理

customSynthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b711dfedcec6412ea8d4a2bf0d0fd46c
来源数据集: uspto-grants-2010_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07799822B2

反应 SMILES

[CH3:1][CH:2]1[NH:7][CH2:6][CH2:5][N:4]([C:8]2[CH:13]=[CH:12][C:11]([S:14]([NH:17][C:18]3[S:19][CH:20]=[CH:21][N:22]=3)(=[O:16])=[O:15])=[CH:10][CH:9]=2)[CH2:3]1.F[C:24]1[CH:25]=[C:26]2[C:30](=[CH:31][CH:32]=1)[N:29]([CH2:33][C:34]([OH:36])=O)[CH:28]=[CH:27]2.[CH3:37]N([P+](ON1N=NC2C=CC=CC1=2)(N(C)C)N(C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)CC)C>O.CC#N.CN(C=O)C>[N:29]1([C@H:33]([CH3:37])[C:34]([N:7]2[CH2:6][CH2:5][N:4]([C:8]3[CH:13]=[CH:12][C:11]([S:14]([NH:17][C:18]4[S:19][CH:20]=[CH:21][N:22]=4)(=[O:15])=[O:16])=[CH:10][CH:9]=3)[CH2:3][CH:2]2[CH3:1])=[O:36])[C:30]2[C:26](=[CH:25][CH:24]=[CH:32][CH:31]=2)[CH:27]=[CH:28]1