HRID2054037

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

HCID28063973

1-[(2R)-2-Pyrrolidinylmethyl]-1H-imidazole

C8H13N3

结构：C[C@H](NC(=O)c1ccc(C(=O)O)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178462084

未命名化合物

PRODUCTS

生成物

结构：C[C@H](NC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178462070

未命名化合物

收率 50%

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 2-chloro-4-{N-[(1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]aminocarbonyl}benzoic acid, TBTU, diisopropylethylamine, and (R)-1-(pyrrolidin-2-ylmethyl)-1H-imidazole in tetrahydrofuran. Yield: 50%; Rf value: 0.20 (silica gel: dichloromethane/methanol=9:1); C25H24C12N6O2 (511.415); mass spectrum: (M+H)+=511/513/515 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3845681bdf9446b2bcd3a5312255d18c
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

[Cl:1][C:2]1[CH:10]=[C:9]([C:11]([NH:13][C@H:14]([C:16]2[NH:20][C:19]3[CH:21]=[CH:22][C:23]([Cl:25])=[CH:24][C:18]=3[N:17]=2)[CH3:15])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=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.[NH:57]1[CH2:61][CH2:60][CH2:59][C@@H:58]1[CH2:62][N:63]1[CH:67]=[CH:66][N:65]=[CH:64]1.ClCl>O1CCCC1.ClCCl.CO>[Cl:1][C:2]1[CH:10]=[C:9]([CH:8]=[CH:7][C:3]=1[C:4]([N:57]1[CH2:61][CH2:60][CH2:59][C@@H:58]1[CH2:62][N:63]1[CH:67]=[CH:66][N:65]=[CH:64]1)=[O:6])[C:11]([NH:13][C@H:14]([C:16]1[NH:20][C:19]2[CH:21]=[CH:22][C:23]([Cl:25])=[CH:24][C:18]=2[N:17]=1)[CH3:15])=[O:12]