HRID286439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID12176

Glycine ethyl ester

C4H9NO2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID24891199

4'-Chloro-3-methoxy[1,1'-biphenyl]-4-carboxylic acid

C14H11ClO3

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1OC

HCID24891040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb85cd36d14e45faaff0f218049e03c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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