HRID1210318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8058

n-Hexane

C6H14

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

HCID166653

Hydride

H-

结构：COc1ccc(CNc2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)nc2C#N)cc1

HCID69331874

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)nc2C#N)cc1

HCID69331950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-641b03ff3e8e4360a35e4cb17679494b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6](-[c:11]2[c:12](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:13][c:14]([NH:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[c:15]([C:17]#[N:18])[n:16]2)[cH:7][cH:8][c:9]1=[O:10].[Cl:37][CH2:38][c:39]1[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]1.[Cl:48][CH:49]([Cl:50])[Cl:51].[H-:36].[Na+:35].[OH2:47]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6](-[c:11]2[c:12](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:13][c:14]([N:19]([CH2:20][c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[CH2:38][c:39]3[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[c:15]([C:17]#[N:18])[n:16]2)[cH:7][cH:8][c:9]1=[O:10]