HRID2244299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

结构：O=C(c1ccc2c(c1)Cc1ccccc1-2)N1Cc2ccc(C(=O)C(Cl)(Cl)Cl)n2Cc2ccccc21

HCID68686423

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc3c(c1)Cc1ccccc1-3)C2

HCID15952979

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

A solution of 0.7 g (0.0014 mol) of 2,2,2-trichloro-1-[10-(9H-fluorene-2-carbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]-ethanone of Step B and 0.30 g (0.0028 mol) of 3-aminomethylpyridine in 25 mL of 1,4-dioxane was heated under reflux for 1 hour. The reaction mixture was cooled to room temperature and poured into 75 mL of water with stirring. The precipitate was collected, washed with water, and recrystallized from ethanol to provide the title compound, m.p. 116-119° C.

WORKUP

后处理

temperatureunder reflux for 1 hour
customThe precipitate was collected
washwashed with water
customrecrystallized from ethanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-647e9fdf23ab42c8bdc42145b2548a37
来源数据集: uspto-grants-2010_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07678787B2
来源说明: uspto-grants-2010_03

反应 SMILES

ClC(Cl)(Cl)[C:3]([C:5]1[N:14]2[C:8]([CH2:9][N:10]([C:19]([C:21]3[CH:33]=[CH:32][C:31]4[C:30]5[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=5)[CH2:24][C:23]=4[CH:22]=3)=[O:20])[C:11]3[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=3[CH2:13]2)=[CH:7][CH:6]=1)=[O:4].[NH2:36][CH2:37][C:38]1[CH:39]=[N:40][CH:41]=[CH:42][CH:43]=1.O>O1CCOCC1>[CH:22]1[C:23]2[CH2:24][C:25]3[C:30](=[CH:29][CH:28]=[CH:27][CH:26]=3)[C:31]=2[CH:32]=[CH:33][C:21]=1[C:19]([N:10]1[C:11]2[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=2[CH2:13][N:14]2[C:5]([C:3]([NH:36][CH2:37][C:38]3[CH:39]=[N:40][CH:41]=[CH:42][CH:43]=3)=[O:4])=[CH:6][CH:7]=[C:8]2[CH2:9]1)=[O:20]