HRID1422612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCN(C[B-](F)(F)F)CC1.[K+]

HCID45588144

Potassium {[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}(trifluoro)borate(1-)

C10H19BF3KN2O2

结构：COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3ccc(C(F)(F)F)c4Br)ccc21

HCID86700774

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3ccc(C(F)(F)F)c4CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21

HCID90314350

未命名化合物

PROCEDURE

实验过程

The title compound is prepared from {(S)-6-[(R)-4-bromo-5-trifluoromethyl-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester and potassium (4-tert-butoxycarbonyl-piperazin-1-yl)methyltrifluoroborate following a procedure analogous to that described for Intermediate 3. LC (method 1): tR=1.26 min; Mass spectrum (ESI+): m/z=591 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90285c3af6694306bdec12bad1138cb4
来源数据集: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08927531B2
来源说明: uspto-grants-2015_01

反应 SMILES

[CH3:1][O:2][C:3](=[O:29])[CH2:4][C@H:5]1[C:9]2[CH:10]=[CH:11][C:12]([O:14][C@H:15]3[C:23]4[C:18](=[C:19](Br)[C:20]([C:24]([F:27])([F:26])[F:25])=[CH:21][CH:22]=4)[CH2:17][CH2:16]3)=[CH:13][C:8]=2[O:7][CH2:6]1.[C:30]([O:34][C:35]([N:37]1[CH2:42][CH2:41][N:40]([CH2:43][B-](F)(F)F)[CH2:39][CH2:38]1)=[O:36])([CH3:33])([CH3:32])[CH3:31].[K+]>>[CH3:1][O:2][C:3](=[O:29])[CH2:4][C@H:5]1[C:9]2[CH:10]=[CH:11][C:12]([O:14][C@H:15]3[C:23]4[C:18](=[C:19]([CH2:43][N:40]5[CH2:41][CH2:42][N:37]([C:35]([O:34][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:36])[CH2:38][CH2:39]5)[C:20]([C:24]([F:27])([F:26])[F:25])=[CH:21][CH:22]=4)[CH2:17][CH2:16]3)=[CH:13][C:8]=2[O:7][CH2:6]1