HRID125161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID6344

Dichloromethane

CH2Cl2

HCID6375

Nitromethane

CH3NO2

HCID7416

Nitrobenzene

C6H5NO2

HCID104727

Aluminum Cation

Al+3

结构：COc1ccc(C[NH+](C)C(CCl)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

HCID178491236

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCC2Cc3cc(OC)c(OC)cc3CN2C)C(C)C)cc1OC

HCID129102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3de7c73f3d824d8181bcd1ba217f88a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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