HRID1575662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

反应SMILES：CN1C(=O)C(C)(C)Nc2ccc(-c3cc(Cl)ccc3O)c(CO)c21

HCID24780850

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(Cl)cc1-c1ccc2c(c1CO)N(C)C(=O)C(C)(C)N2

HCID57671785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2d8a4e38bee34aa483ab33b82c551992
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH2:45]([O:46][CH2:47][CH3:48])[CH3:49].[CH3:25][I:26].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:24])[c:6](-[c:8]2[cH:9][cH:10][c:11]3[c:16]([c:17]2[CH2:18][OH:19])[N:15]([CH3:20])[C:14](=[O:21])[C:13]([CH3:22])([CH3:23])[NH:12]3)[cH:7]1.[K+:31].[K+:32].[OH2:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:24][CH3:27])[c:6](-[c:8]2[cH:9][cH:10][c:11]3[c:16]([c:17]2[CH2:18][OH:19])[N:15]([CH3:20])[C:14](=[O:21])[C:13]([CH3:22])([CH3:23])[NH:12]3)[cH:7]1