HRID924752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1B(O)O

HCID22031628

未命名化合物

结构：Cl.Clc1ccc(C2(c3ccc(Br)cc3)CCNCC2)cc1

HCID67235252

4-(4-Bromophenyl)-4-(4-chlorophenyl)piperidine--hydrogen chloride (1/1)

C17H18BrCl2N

PRODUCTS

生成物

结构：Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc(C2(c3ccc(Cl)cc3)CCNCC2)cc1

HCID67235134

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

结构：[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

催化剂HCID11979704

未命名化合物

PROCEDURE

实验过程

4-(4-bromo-phenyl)-4-(4-chloro-phenyl)-piperidine hydrochloride was reacted with 3-methyl-1-trityl-1H-pyrazole-4-boronic acid* following the procedure set out in Example 1, but using tetrakis(triphenylphosphine) palladium (0) as the catalyst to give the title compound. LC/MS: (PS-B3) Rt 2.78 min [M+H]+ 594. * This starting material can be made by the method described in EP1382603

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f3990304ebf45b5935fba52f06c083a
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09283226B2
来源说明: uspto-grants-2016_03

反应 SMILES

Cl.Br[C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=3)[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)=[CH:5][CH:4]=1.[CH3:22][C:23]1[C:27](B(O)O)=[CH:26][N:25]([C:31]([C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)([C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[N:24]=1>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[Cl:21][C:18]1[CH:19]=[CH:20][C:15]([C:9]2([C:6]3[CH:7]=[CH:8][C:3]([C:27]4[C:23]([CH3:22])=[N:24][N:25]([C:31]([C:32]5[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=5)([C:38]5[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=5)[C:44]5[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=5)[CH:26]=4)=[CH:4][CH:5]=3)[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)=[CH:16][CH:17]=1