HRID2054009

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

HCID12658081

N,N-Dimethyl-1-(pyrrolidin-2-yl)methanamine

C7H16N2

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)N2CCCC2(C)N(C)C)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178462059

未命名化合物

收率 50%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

Prepared analogously to Example 1g from (1S)-2-chloro-4-{N-[1-(5-chloro-1H-benzimidazol-2-yl)ethyl]aminocarbonyl}benzoic acid, TBTU, diisopropylethylamine, and rac-2-(dimethylaminomethyl)pyrrolidine in tetrahydrofuran. Yield: 50%; Rf value: 0.32 (Reversed phase RP 8: methanol/5% sodium chloride solution=6:4); C24H27Cl2N5O2 (488.416); mass spectrum: (M+H)+=488/490/492 (chlorine isotope) and (M−H)−=486/488/490 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-131f705be09e48768738204722ea7ea7
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=[N:41][C:36]2[CH:37]=[CH:38][CH:39]=[CH:40]C1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[CH:48]([N:51](C(C)C)[CH2:52]C)(C)C.CN(CC1CCCN1)C.ClCl>O1CCCC1.CO>[Cl:1][C:2]1[CH:10]=[C:9]([CH:8]=[CH:7][C:3]=1[C:4]([N:41]1[CH2:36][CH2:37][CH2:38][C:39]1([CH3:40])[N:51]([CH3:52])[CH3:48])=[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]