HRID189235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID15618556

未命名化合物

HCID57516844

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc2[nH]cc(C(=O)Nc3ccc(N4C5CCC4CC5)cc3C#N)c(=O)c12

HCID46194420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d66b70857ee42ecbc3b12080d8668cd
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

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