HRID142892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID89103

Methyl N-phenyl-beta-alaninate

C10H13NO2

结构：CC(C)(C)OC(=O)N(CCOc1cc(Cl)cc(C(=O)O)c1)c1ccncc1

HCID18348849

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCN(C(=O)c1cc(Cl)cc(OCCN(C(=O)OC(C)(C)C)c2ccncc2)c1)c1ccccc1

HCID54056069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7c7ad6b13084e3c912634447c78ff13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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