HRID823015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID7728

5-Ethyl-2-methylpyridine

C8H11N

结构：NC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)c2o1

HCID10895736

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(=O)c2cccc(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)c2o1

HCID9911011

N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide

C27H22N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40fb9794eca0448dbf645f661b7559d0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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