HRID2310125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10958

Isobutyl nitrite

C4H9NO2

结构：COC(=O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2N)c(Cl)c1

HCID68467172

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(Cl)c1

HCID68466220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70e4fbab46064602aed921d17caf23ff
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][CH:2]([CH2:3][O:4][N:5]=[O:6])[CH3:7].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][CH2:14][NH:15][C:16](=[O:17])[c:18]2[cH:19][c:20]([NH2:37])[c:21]([O:22][c:23]3[c:24]([Cl:34])[cH:25][c:26]([CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:27][cH:28]3)[cH:35][cH:36]2)[cH:38][cH:39]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][CH2:14][NH:15][C:16](=[O:17])[c:18]2[cH:19][cH:20][c:21]([O:22][c:23]3[c:24]([Cl:34])[cH:25][c:26]([CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:27][cH:28]3)[cH:35][cH:36]2)[cH:38][cH:39]1