HRID2333696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：CC(C)(C)C(=O)OCn1c(=O)c2c(ncn2-c2ccccc2C=O)n(COC(=O)C(C)(C)C)c1=O

HCID23536861

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCn1c(=O)c2c(nc(Cl)n2-c2ccccc2C=O)n(COC(=O)C(C)(C)C)c1=O

HCID23536890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703c222ac03e4f6aae6ce656bfb9551a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][C:2]([C:3](=[O:4])[O:5][CH2:6][n:7]1[c:8](=[O:33])[n:9]([CH2:25][O:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:10]2[n:11][cH:12][n:13](-[c:17]3[c:18]([CH:23]=[O:24])[cH:19][cH:20][cH:21][cH:22]3)[c:14]2[c:15]1=[O:16])([CH3:34])[CH3:35].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:36][N:37]1[C:38](=[O:39])[CH2:40][CH2:41][C:42]1=[O:43]>>[CH3:1][C:2]([C:3](=[O:4])[O:5][CH2:6][n:7]1[c:8](=[O:33])[n:9]([CH2:25][O:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:10]2[n:11][c:12]([Cl:36])[n:13](-[c:17]3[c:18]([CH:23]=[O:24])[cH:19][cH:20][cH:21][cH:22]3)[c:14]2[c:15]1=[O:16])([CH3:34])[CH3:35]