HRID1265887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID31268

Pyrrolidine

C4H9N

结构：Cc1cc2c(cc1N(C)CC(C)C)N=C(c1cccc(-n3nncc3CO)c1)CC(=O)N2

HCID18613191

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1N(C)CC(C)C)N=C(c1cccc(-n3ncnc3CN3CCCC3)c1)CC(=O)N2

HCID18613356

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The title compound was prepared from 4-[3-(5-hydroxymethyl-[1,2,3]triazol-1-yl)-phenyl]-7-(isobutyl-methyl-amino)-8-methyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one (Example 132) (180 mg, 0.42 mmol) by reaction with thionylchloride in dichloromethane and subsequent treatment of the corresponding chloride with pyrrolidine in DMF according to the method described in Example 45. Obtained as an off-white solid (106 mg, 52%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e98b3492e7e4a8496ceeb06f453bd0b
来源数据集: uspto-grants-2003_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06544985B2
来源说明: uspto-grants-2003_04

反应 SMILES

OC[C:3]1[N:7]([C:8]2[CH:9]=[C:10]([C:14]3[CH2:20][C:19](=[O:21])[NH:18][C:17]4[CH:22]=[C:23]([CH3:32])[C:24]([N:26]([CH2:28][CH:29]([CH3:31])[CH3:30])[CH3:27])=[CH:25][C:16]=4[N:15]=3)[CH:11]=[CH:12][CH:13]=2)[N:6]=[N:5][CH:4]=1.S(Cl)(Cl)=O.[Cl-].N1[CH2:42][CH2:41][CH2:40][CH2:39]1.[CH3:43][N:44](C=O)C>ClCCl>[CH2:28]([N:26]([CH3:27])[C:24]1[C:23]([CH3:32])=[CH:22][C:17]2[NH:18][C:19](=[O:21])[CH2:20][C:14]([C:10]3[CH:11]=[CH:12][CH:13]=[C:8]([N:7]4[C:3]([CH2:4][N:5]5[CH2:39][CH2:40][CH2:41][CH2:42]5)=[N:44][CH:43]=[N:6]4)[CH:9]=3)=[N:15][C:16]=2[CH:25]=1)[CH:29]([CH3:31])[CH3:30]