HRID13781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

HCID11353283

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl

HCID23145967

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

CONDITIONS

反应条件

温度: 70 °C

PROCEDURE

实验过程

2.66 g of 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide (Example 1) was suspended in 26 ml of ethanol and 4.88 ml of 1 N hydrochloric acid was added thereto, and then the mixture was stirred with heating in a hot bath at 70° C. and dissolved. The solvent was distilled off under reduced pressure, and then the crude crystals were washed with ethanol to obtain 2.80 g of the objective compound.

WORKUP

后处理

dissolutiondissolved
distillationThe solvent was distilled off under reduced pressure
washthe crude crystals were washed with ethanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f50f57487ad14b86ad99b7996bff5958
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07728131B2
来源说明: uspto-grants-2010_06

反应 SMILES

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