HRID700378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID14535

1-Amino-2-naphthalenol

C10H9NO

HCID31214

Ethyl orthoformate

C7H16O3

HCID600916

Ethyl 2,3,4,5-tetrafluorobenzoylacetate

C11H8F4O3

PRODUCTS

生成物

结构：CCOC(=O)C(=CNc1c(O)ccc2ccccc12)C(=O)c1cc(F)c(F)c(F)c1F

HCID178471965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08b473af92ce4e7ea31860d9d9ed2baf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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