HRID1836855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2761178

ethyl 4-(piperazin-1-yl)benzoate

C13H18N2O2

结构：O=C(NCC(F)(F)F)C1(CCCCBr)c2ccccc2Sc2ccccc21

HCID22180397

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4Sc4ccccc43)CC2)cc1

HCID22180300

未命名化合物

PROCEDURE

实验过程

Step (b) of Example 1 was repeated, except that the compound prepared in step (a) of Example 80 and the compound prepared in step (d) of Example 133 were used as the starting compounds. Thus, ethyl 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-thioxanthen-9-yl]butyl]piperazin-1-yl]benzoate was obtained.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5042e1d0b8bd4bb688f4d926759a872f
来源数据集: uspto-grants-2004_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06777414B1
来源说明: uspto-grants-2004_08

反应 SMILES

[N:1]1([C:7]2[CH:17]=[CH:16][C:10]([C:11]([O:13][CH2:14][CH3:15])=[O:12])=[CH:9][CH:8]=2)[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[F:18][C:19]([F:44])([F:43])[CH2:20][NH:21][C:22]([C:24]1([CH2:38][CH2:39][CH2:40][CH2:41]Br)[C:37]2[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=2[S:31][C:30]2[C:25]1=[CH:26][CH:27]=[CH:28][CH:29]=2)=[O:23]>>[F:44][C:19]([F:18])([F:43])[CH2:20][NH:21][C:22]([C:24]1([CH2:38][CH2:39][CH2:40][CH2:41][N:4]2[CH2:3][CH2:2][N:1]([C:7]3[CH:8]=[CH:9][C:10]([C:11]([O:13][CH2:14][CH3:15])=[O:12])=[CH:16][CH:17]=3)[CH2:6][CH2:5]2)[C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][C:30]=2[S:31][C:32]2[C:37]1=[CH:36][CH:35]=[CH:34][CH:33]=2)=[O:23]