HRID210255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID76947

5-METHYLISOXAZOLE-3-CARBOXYLIC ACID

C5H5NO3

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)no1

HCID57505500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c5608d4ab7d496ca933260fd329433e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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