HRID935928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID57149538

3-(2-Cyanopropan-2-yl)benzoic acid

C11H11NO2

HCID57441053

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(C)(C)C#N)c4)c3)ccc2n1

HCID57505695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-586076099909478db9d4f796c49688bc
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:26][c:27]1[cH:28][c:29]([O:30][c:31]2[cH:32][cH:33][c:34]3[n:35]([n:36]2)[cH:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[n:39]3)[cH:44][cH:45][cH:46]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:26][c:27]2[cH:28][c:29]([O:30][c:31]3[cH:32][cH:33][c:34]4[n:35]([n:36]3)[cH:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[n:39]4)[cH:44][cH:45][cH:46]2)[cH:12][cH:13][cH:14]1