HRID1219102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6947

2-Nitrophenol

C6H5NO3

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N(C)CC(=O)O)c1I

HCID20239174

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N(C)CC(=O)Oc2ccccc2[N+](=O)[O-])c1I

HCID20239173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9c784441b8b46e7a139ce8a859d1205
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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