HRID281721

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

HCID13835298

2-Ethyl-4-methyl-1,3-oxazole-5-carboxylic acid

C7H9NO3

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

HCID57505476

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(C)c(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)o1

HCID57505674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5903e9f9cd9447f1b808f43a6be33474
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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