HRID190927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：COc1nn(-c2cccc(N)c2)c(=O)n(Cc2ccc(Cl)cc2)c1=O

HCID68702468

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)Nc1cccc(-n2nc(OC)c(=O)n(Cc3ccc(Cl)cc3)c2=O)c1

HCID59139888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81cd9ad56f044080934aa3cf9d689be6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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