HRID2327645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID98370

3-(1-Cyanoethyl)benzoic acid

C10H9NO2

结构：COc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505485

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2cccc(C(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28c14cc2f54743679bb2677a3efb35bd
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

[C:1](#[N:2])[CH:3]([CH3:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13]1.[CH3:20][N:21]([CH3:22])[CH:23]=[O:24].[CH3:50][N:51]1[CH2:52][CH2:53][CH2:54][C:55]1=[O:56].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[NH2:25][c:26]1[cH:27][cH:28][c:29]([O:48][CH3:49])[c:30]([O:31][c:32]2[cH:33][cH:34][c:35]3[n:36]([n:37]2)[cH:38][c:39]([NH:41][C:42](=[O:43])[CH:44]2[CH2:45][CH2:46]2)[n:40]3)[cH:47]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[C:1](#[N:2])[CH:3]([CH3:4])[c:5]1[cH:6][c:7]([C:8](=[O:10])[NH:25][c:26]2[cH:27][cH:28][c:29]([O:48][CH3:49])[c:30]([O:31][c:32]3[cH:33][cH:34][c:35]4[n:36]([n:37]3)[cH:38][c:39]([NH:41][C:42](=[O:43])[CH:44]3[CH2:45][CH2:46]3)[n:40]4)[cH:47]2)[cH:11][cH:12][cH:13]1