HRID144745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8784

Cinnamic acid

C9H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1

HCID57505463

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccccc1)Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1

HCID67437449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf4ab4b8281d4ef09536b500004b9ae3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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