HRID119847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID9742

3-Fluoroaniline

C6H6FN

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID80604

Cyclohexanamine, 4-methyl-

C7H15N

HCID17040038

7-Fluoroquinoline-3-carboxylic acid

C10H6FNO2

HCID22136425

未命名化合物

PRODUCTS

生成物

HCID22136439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01438d66b45e4141a93968fd78d3e012
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:46][CH:47]1[CH2:48][CH2:49][CH:50]([NH2:53])[CH2:51][CH2:52]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[Cl:39][C:40]([C:41]([Cl:42])=[O:43])=[O:44].[Cl:54][CH2:55][Cl:56].[ClH:16].[ClH:1].[ClH:45].[F:17][c:18]1[cH:19][cH:20][c:21]2[cH:22][c:23]([C:28](=[O:29])[OH:30])[cH:24][n:25][c:26]2[cH:27]1.[F:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[cH:9][c:10]([C:11]([OH:12])=[O:13])[cH:14][n:15]2.[F:31][c:32]1[cH:33][c:34]([NH2:38])[cH:35][cH:36][cH:37]1>>[F:17][c:18]1[cH:19][cH:20][c:21]2[cH:22][c:23]([C:28](=[O:30])[NH:53][CH:50]3[CH2:49][CH2:48][CH:47]([CH3:46])[CH2:52][CH2:51]3)[cH:24][n:25][c:26]2[cH:27]1