HRID120054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81453

N-Methylpyrrole-2-carboxylic acid

C6H7NO2

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1N

HCID57505476

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)c1cccn1C

HCID57505581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdf21b8e676449ce99e89db5fdd84a69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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