HRID1410265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID53403782

N-(tert-Butoxycarbonyl)-3,3,3-trifluoroalanine

C8H12F3NO4

结构：COc1cc2[nH]c(Nc3cc(CN)ccc3C(F)(F)F)nc2cc1C(=O)N[C@H]1CC[C@H](C(F)(F)F)CC1

HCID178486903

未命名化合物

PRODUCTS

生成物

结构：COc1cc2[nH]c(Nc3cc(CNC(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F)ccc3C(F)(F)F)nc2cc1C(=O)N[C@H]1CC[C@H](C(F)(F)F)CC1

HCID178486905

未命名化合物

收率 70%

PROCEDURE

实验过程

The title compound was prepared from 2-(5-aminomethyl-2-trifluoromethyl-phenylamino)-6-methoxy-N-(trans-4-trifluoromethyl-cyclohex-1-yl)-1H-benzo[d]imidazole-5-carboxamide and 2-tert.butoxycarbonylamino-3,3,3-trifluoro-propionic acid with TBTU, and TEA in THF_in analogy to example 3e.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42a15a0cbdf441f882f6ea2ecc320ad3
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08921405B2
来源说明: uspto-grants-2014_12

反应 SMILES

[NH2:1][CH2:2][C:3]1[CH:4]=[CH:5][C:6]([C:34]([F:37])([F:36])[F:35])=[C:7]([NH:9][C:10]2[NH:14][C:13]3[CH:15]=[C:16]([O:32][CH3:33])[C:17]([C:19]([NH:21][C@H:22]4[CH2:27][CH2:26][C@H:25]([C:28]([F:31])([F:30])[F:29])[CH2:24][CH2:23]4)=[O:20])=[CH:18][C:12]=3[N:11]=2)[CH:8]=1.[C:38]([O:42][C:43]([NH:45][CH:46]([C:50]([F:53])([F:52])[F:51])[C:47](O)=[O:48])=[O:44])([CH3:41])([CH3:40])[CH3:39].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F>>[C:38]([O:42][C:43]([NH:45][CH:46]([C:50]([F:51])([F:52])[F:53])[C:47]([NH:1][CH2:2][C:3]1[CH:4]=[CH:5][C:6]([C:34]([F:36])([F:37])[F:35])=[C:7]([NH:9][C:10]2[NH:14][C:13]3[CH:15]=[C:16]([O:32][CH3:33])[C:17]([C:19]([NH:21][C@H:22]4[CH2:27][CH2:26][C@H:25]([C:28]([F:29])([F:30])[F:31])[CH2:24][CH2:23]4)=[O:20])=[CH:18][C:12]=3[N:11]=2)[CH:8]=1)=[O:48])=[O:44])([CH3:41])([CH3:39])[CH3:40]