HRID298272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID49841002

未命名化合物

结构：CC(C)(C#N)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1

HCID67159368

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C#N)nn4-c4ccccc4)c3)c2cc1OC

HCID58267958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8e61f90470c4567a8c99105b12ba4c3
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

[C:23](#[N:24])[C:25]([CH3:26])([CH3:27])[c:28]1[n:29][n:30](-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:31]([NH:33][C:34]([O:35][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:36])[cH:32]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([NH:19][C:34]([NH:33][c:31]4[n:30](-[c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[n:29][c:28]([C:25]([C:23]#[N:24])([CH3:26])[CH3:27])[cH:32]4)=[O:35])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]