HRID1122379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID68242

2-Furancarbonyl chloride

C5H3ClO2

结构：Cc1ccc2c(c1)c(N1CCNCC1)c(C#N)c(=O)n2Cc1ccccc1

HCID21081918

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c(C#N)c(=O)n2Cc1ccccc1

HCID21081903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c9881551ab54d6b974155f659f0ee4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[n:16]1[c:17](=[O:35])[c:18]([C:33]#[N:34])[c:19]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[c:20]2[cH:21][c:22]([CH3:26])[cH:23][cH:24][c:25]12.[OH2:36].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[o:1]1[c:2]([C:6](=[O:7])[Cl:8])[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([C:6](=[O:7])[N:30]2[CH2:29][CH2:28][N:27]([c:19]3[c:18]([C:33]#[N:34])[c:17](=[O:35])[n:16]([CH2:9][c:10]4[cH:11][cH:12][cH:13][cH:14][cH:15]4)[c:25]4[c:20]3[cH:21][c:22]([CH3:26])[cH:23][cH:24]4)[CH2:32][CH2:31]2)[cH:3][cH:4][cH:5]1