HRID1696098

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

结构：C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1

HCID59465692

未命名化合物

HCID67082690

未命名化合物

PRODUCTS

生成物

结构：C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)CCn1ccc2cccc(Cl)c21

HCID53627612

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 (R)-4-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)benzenesulfonamide, 0.15 mmol 3-(7-chloro-1H-indol-1-yl)propanoic acid, 0.15 mmol BOP reagent, 0.15 mmol triethylamine and DMF (300 μL). LC/MS (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)), m/z: M+1 obs=539.5; tR=2.89 min.

WORKUP

后处理

customSynthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce1db0b426e940069178a110ef645bb7
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

[CH3:1][C@H: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[CH:23]=[CH:22][N:21]=[CH:20][N:19]=3)(=[O:16])=[O:15])=[CH:10][CH:9]=2)[CH2:3]1.[Cl:24][C:25]1[CH:26]=[CH:27][CH:28]=[C:29]2[C:33]=1[N:32]([CH2:34][CH2:35][C:36](O)=[O:37])[CH:31]=[CH:30]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:24][C:25]1[CH:26]=[CH:27][CH:28]=[C:29]2[C:33]=1[N:32]([CH2:34][CH2:35][C:36]([N:7]1[CH2:6][CH2:5][N:4]([C:8]3[CH:9]=[CH:10][C:11]([S:14]([NH:17][C:18]4[CH:23]=[CH:22][N:21]=[CH:20][N:19]=4)(=[O:16])=[O:15])=[CH:12][CH:13]=3)[CH2:3][C@H:2]1[CH3:1])=[O:37])[CH:31]=[CH:30]2