HRID2314609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID5069406

tert-Butyl sarcosinate

C7H15NO2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1nc2c(C#N)c(C)c(-c3ccccc3)c(F)c2o1

HCID51041426

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(F)c2oc(C(=O)CNCC(=O)OC(C)(C)C)nc2c1C#N

HCID86630857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3275cebb3bf54a5fa5d962fb78933be8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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