HRID299553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID11503

N-Methylphenethylamine

C9H13N

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)N(C)CCc3ccccc3)nc2c1C#N

HCID68585078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b09dbbd000941c4b82217d8058a5d8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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