HRID158808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID242873

2-Bromo-4-fluoroaniline

C6H5BrFN

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(F)cc2Br)CC1

HCID58878481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-104d6de242d549b69418acebabadfba2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:21][c:22]1[c:23]([NH2:29])[cH:24][cH:25][c:26]([F:28])[cH:27]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]1.[CH2:37]([Cl:38])[Cl:39].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:40][N:41]([CH3:42])[c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1.[S:17]([Cl:18])([Cl:19])=[O:20].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:16])[NH:29][c:23]2[c:22]([Br:21])[cH:27][c:26]([F:28])[cH:25][cH:24]2)[CH2:12][CH2:13]1