HRID730849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：FC(F)(F)c1cc(Br)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1

HCID11670445

未命名化合物

结构：CC(C)(C)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID15486605

2-(4-tert-Butylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H29BO2

PRODUCTS

生成物

结构：CC(C)(C)C1CC=C(c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)CC1

HCID57835048

未命名化合物

PROCEDURE

实验过程

4-Bromo-6-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H-benzoimidazole (250 mg, 0.5 mmol, Example 7) and 2-(4-tert-butyl-cyclohex-1-enyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane from step (b) above (200 mg, 0.76 mmol) reacted under the conditions of Example 10 to give the title compound as a white solid. MS (ESI, pos. ion) m/z: 552 (M+1). M.p. 96-97.7° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd23d0a689fc4e46ae800e590a2a2b50
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07582761B2
来源说明: uspto-grants-2009_09

反应 SMILES

Br[C:2]1[C:10]2[N:9]=[C:8]([N:11]3[CH2:16][CH2:15][N:14]([C:17]4[C:22]([C:23]([F:26])([F:25])[F:24])=[CH:21][CH:20]=[CH:19][N:18]=4)[CH2:13][CH2:12]3)[NH:7][C:6]=2[CH:5]=[C:4]([C:27]([F:30])([F:29])[F:28])[CH:3]=1.[C:31]([CH:35]1[CH2:40][CH2:39][C:38](B2OC(C)(C)C(C)(C)O2)=[CH:37][CH2:36]1)([CH3:34])([CH3:33])[CH3:32]>>[C:31]([CH:35]1[CH2:40][CH2:39][C:38]([C:2]2[C:10]3[N:9]=[C:8]([N:11]4[CH2:12][CH2:13][N:14]([C:17]5[C:22]([C:23]([F:26])([F:25])[F:24])=[CH:21][CH:20]=[CH:19][N:18]=5)[CH2:15][CH2:16]4)[NH:7][C:6]=3[CH:5]=[C:4]([C:27]([F:29])([F:30])[F:28])[CH:3]=2)=[CH:37][CH2:36]1)([CH3:32])([CH3:33])[CH3:34]