HRID1696086

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

HCID59465635

未命名化合物

HCID59466443

未命名化合物

PRODUCTS

生成物

结构：O=C(CCn1ccc2cc(Cl)ccc21)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1

HCID53627598

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 5, method A. The reaction was set up with 0.11 mmol 4-(piperazin-1-yl)-N-(pyrimidin-4-yl)benzenesulfonamide, 0.17 mmol 3-(5-chloro-1H-indol-1-yl)propanoic acid, 0.17 mmol BOP reagent, 0.17 mmol triethylamine and 300 μL DMF. LC/MS (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)), m/z: M+1 obs=525.2; tR=2.87 min.

WORKUP

后处理

customSynthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30bf65e1ae9c420dbcad2eea3adeb02e
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08163720B2
来源说明: uspto-grants-2012_04

反应 SMILES

[N:1]1([C:7]2[CH:12]=[CH:11][C:10]([S:13]([NH:16][C:17]3[CH:22]=[CH:21][N:20]=[CH:19][N:18]=3)(=[O:15])=[O:14])=[CH:9][CH:8]=2)[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[Cl:23][C:24]1[CH:25]=[C:26]2[C:30](=[CH:31][CH:32]=1)[N:29]([CH2:33][CH2:34][C:35](O)=[O:36])[CH:28]=[CH:27]2.CN([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>[Cl:23][C:24]1[CH:25]=[C:26]2[C:30](=[CH:31][CH:32]=1)[N:29]([CH2:33][CH2:34][C:35]([N:4]1[CH2:3][CH2:2][N:1]([C:7]3[CH:12]=[CH:11][C:10]([S:13]([NH:16][C:17]4[CH:22]=[CH:21][N:20]=[CH:19][N:18]=4)(=[O:14])=[O:15])=[CH:9][CH:8]=3)[CH2:6][CH2:5]1)=[O:36])[CH:28]=[CH:27]2