HRID311866

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

HCID20262086

1,4-Dimethyl-1H-pyrrole-3-carboxylic acid

C7H9NO2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1

HCID57749117

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(C)cc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1

HCID57749353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c793e9667db5460a9be5a8432f53f5ef
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

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