HRID2053850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24526

Chlorine

Cl2

2 次

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2733207

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

C11H16BF4N5O

HCID12068686

未命名化合物

结构：CC(C)(C)OC(=O)NCC(N)c1nc2cc(Cl)ccc2[nH]1

HCID178453674

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2nc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CCCC1

HCID178427103

未命名化合物

收率 64%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

溶剂HCID21585052

未命名化合物

PROCEDURE

实验过程

Prepared analogously to Example 1g from 3-methyl-4-(pyrrolidin-1-ylcarbonyl)benzoic acid, TBTU, diisopropylethylamine, and 2-tert-butoxycarbonylamino-1-(5-chloro-1H-benzimidazol-2-yl)ethylamine in tetrahydrofuran. Yield: 64%; Rf value: 0.67 (silica gel; cyclohexane/ethanol=7:3); C27H32ClN5O4 (526.03); mass spectrum: (M+H)+=526/528 (chlorine isotope) and (M−H)−=524/526 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9325eb540cb24375bf01f6e71602d5af
来源数据集: uspto-grants-2008_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07326791B2
来源说明: uspto-grants-2008_02

反应 SMILES

[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[C:11]([N:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1)=[O:12])[C:5]([OH:7])=O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)CC)(C)C.[C:49]([O:53][C:54]([NH:56][CH2:57][CH:58]([NH2:69])[C:59]1[NH:63][C:62]2[CH:64]=[CH:65][C:66]([Cl:68])=[CH:67][C:61]=2[N:60]=1)=[O:55])([CH3:52])([CH3:51])[CH3:50].ClCl>O1CCCC1.C1CCCCC1.C(O)C>[C:49]([O:53][C:54]([NH:56][CH2:57][CH:58]([NH:69][C:5](=[O:7])[C:4]1[CH:8]=[CH:9][C:10]([C:11]([N:13]2[CH2:17][CH2:16][CH2:15][CH2:14]2)=[O:12])=[C:2]([CH3:1])[CH:3]=1)[C:59]1[NH:63][C:62]2[CH:64]=[CH:65][C:66]([Cl:68])=[CH:67][C:61]=2[N:60]=1)=[O:55])([CH3:52])([CH3:50])[CH3:51]