HRID551164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

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

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2C(F)(F)F)CC1

HCID67048117

未命名化合物

HCID178461859

未命名化合物

PRODUCTS

生成物

结构：C[C@H](NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178462094

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

PROCEDURE

实验过程

Prepared analogously to Example 1f from 4-(4-N-Boc-piperazin-1-yl)-3-trifluoromethyl-benzoic acid, TBTU, NMM and (1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethylamine in NMP and subsequent purification by chromatography on silica gel (eluant: petroleum ether/ethyl acetate=50:50).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baba303d27fd4bfc8f1a526d28a2eee9
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07947700B2
来源说明: uspto-grants-2011_05

反应 SMILES

[C:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:22]=[CH:21][C:17]([C:18]([OH:20])=O)=[CH:16][C:15]=2[C:23]([F:26])([F:25])[F:24])[CH2:10][CH2:9]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.CN1CCOCC1.[Cl:56][C:57]1[CH:68]=[CH:67][C:60]2[NH:61][C:62]([C@@H:64]([NH2:66])[CH3:65])=[N:63][C:59]=2[CH:58]=1>CN1C(=O)CCC1>[C:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:22]=[CH:21][C:17]([C:18]([NH:66][C@H:64]([C:62]3[NH:61][C:60]4[CH:67]=[CH:68][C:57]([Cl:56])=[CH:58][C:59]=4[N:63]=3)[CH3:65])=[O:20])=[CH:16][C:15]=2[C:23]([F:26])([F:24])[F:25])[CH2:10][CH2:9]1)([O:3][C:4]([CH3:7])([CH3:5])[CH3:6])=[O:2]