HRID51884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID11430

Potassium Carbonate

CK2O3

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F

HCID9886157

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

C10H15F6N6OP

HCID22736978

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C)c2ccc(OC)c3nc(NC(=O)c4ccc(F)cc4)sc23)cc1

HCID10173763

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

From 4-methoxy-N7-methyl-benzothiazole-2,7-diamine with potassium carbonate and 4-methoxybenzyl chloride in DMF, then treatment with 4-fluorobenzoic acid, HATU and N-ethyldiisopropylamine in THF. ES-MS m/e (0/o): 452 (M+H+, 100).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df8228a60b184128aa35fd93c2b66c95
来源数据集: uspto-grants-2004_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06713499B2
来源说明: uspto-grants-2004_03

反应 SMILES

[CH3:1][O:2][C:3]1[C:8]2[N:9]=[C:10]([NH2:12])[S:11][C:7]=2[C:6]([NH:13][CH3:14])=[CH:5][CH:4]=1.C(=O)([O-])[O-].[K+].[K+].[CH3:21][O:22][C:23]1[CH:30]=[CH:29][C:26]([CH2:27]Cl)=[CH:25][CH:24]=1.[F:31][C:32]1[CH:40]=[CH:39][C:35]([C:36](O)=[O:37])=[CH:34][CH:33]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(C(C)C)C(C)C)C>CN(C=O)C.C1COCC1>[F:31][C:32]1[CH:40]=[CH:39][C:35]([C:36]([NH:12][C:10]2[S:11][C:7]3[C:6]([N:13]([CH2:27][C:26]4[CH:29]=[CH:30][C:23]([O:22][CH3:21])=[CH:24][CH:25]=4)[CH3:14])=[CH:5][CH:4]=[C:3]([O:2][CH3:1])[C:8]=3[N:9]=2)=[O:37])=[CH:34][CH:33]=1