HRID135175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID80172

4-Cyanobenzoyl chloride

C8H4ClNO

HCID166653

Hydride

H-

HCID279800

Di-tert-butyl Iminodicarboxylate

C10H19NO4

HCID19377230

3-(3-Bromopropyl)benzonitrile

C10H10BrN

PRODUCTS

生成物

HCID68831035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c89b37f0a9534076bc55f00142721613
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:18][CH2:19][CH2:20][CH2:21][c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]1.[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[Cl:38])[cH:39][cH:40]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[ClH:53].[H-:1].[NH:3]([C:4]([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:10])[C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17].[Na+:2].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[NH:3]([CH2:19][CH2:20][CH2:21][c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]1)[C:36]([c:35]1[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:40][cH:39]1)=[O:37]