HRID2143044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID674

Dimethylamine

C2H7N

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)Cc1c(-c2ccccc2)c(C)c(C#N)c2nc(C3CC3)oc12

HCID86630881

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(CC(=O)N(C)C)c2oc(C3CC3)nc2c1C#N

HCID68587563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7585a42733774320b449e271079d3989
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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