HRID1146002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID13260617

未命名化合物

HCID18441958

2-Fluoro-4-formylbenzoic acid

C8H5FO3

PRODUCTS

生成物

结构：O=Cc1ccc(C(=O)Nc2cc(Sc3ccccc3)ccc2O)c(F)c1

HCID58415254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3903934f74c4426eb04e4b94e38a2f6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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