HRID1224955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID95864

Thionaphthene-2-carboxylic acid

C9H6O2S

HCID142384

Thianaphthene-2-carbonyl chloride

C9H5ClOS

HCID2773808

tetraethyl aminomethylenediphosphonate

C9H23NO6P2

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(NC(=O)c1cc2ccccc2s1)P(=O)(OCC)OCC

HCID14151761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a6aab22b2bf44a89e2c33de3d826d27
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

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