HRID1207670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID416902

1,5-Dimethyl glutamate

C7H13NO4

HCID2774516

2-fluoro-4-iodobenzoic acid

C7H4FIO2

PRODUCTS

生成物

结构：COC(=O)CCC(NC(=O)c1ccc(I)cc1F)C(=O)OC

HCID178500520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4671eea4736347c19d0fc5583126838f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:45]([Cl:46])[Cl:47].[CH3:17][O:18][C:19]([CH:20]([NH2:21])[CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])=[O:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[ClH:16].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([I:11])[cH:10]1.[S:12]([Cl:13])([Cl:14])=[O:15].[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[NH:21][CH:20]([C:19]([O:18][CH3:17])=[O:28])[CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:7][cH:8][c:9]([I:11])[cH:10]1