HRID2053889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24526

Chlorine

Cl2

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

HCID11858638

3-methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid

C13H13NO3

HCID178509659

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NCC2(c3nc4cc(Cl)ccc4[nH]3)C=CC=CC2)ccc1C(=O)N1CC=CC1

HCID178426989

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

Prepared analogously to Example 1g from 3-methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid, TBTU, diisopropylethylamine, and rac.—C-(5-chloro-1H-benzimidazol-2-yl)-C-phenylmethylamine in tetrahydrofuran. Yield: quantitative; Rf value: 0.39 (silica gel; dichloromethane/methanol=9:1); C27H23ClN4O2 (470.96); mass spectrum: (M+H)+=471/473 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6737275cde5043bcb690973b551a5a73
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][CH:16]=[CH:15][CH2:14]1)=[O:12])[C:5]([OH:7])=O.[CH3:18][N:19](C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)CC)(C)C.[Cl:49][C:50]1[CH:66]=[CH:65][C:53]2[NH:54][C:55]([CH:57](N)[C:58]3[CH:63]=[CH:62][CH:61]=[CH:60]C=3)=[N:56][C:52]=2[CH:51]=1.ClCl>O1CCCC1.ClCCl.CO>[Cl:49][C:50]1[CH:66]=[CH:65][C:53]2[NH:54][C:55]([C:57]3([CH2:18][NH:19][C:5](=[O:7])[C:4]4[CH:8]=[CH:9][C:10]([C:11]([N:13]5[CH2:17][CH:16]=[CH:15][CH2:14]5)=[O:12])=[C:2]([CH3:1])[CH:3]=4)[CH:58]=[CH:63][CH:62]=[CH:61][CH2:60]3)=[N:56][C:52]=2[CH:51]=1