HRID1556759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID82604

Nicotinoyl chloride

C6H4ClNO

结构：CCOc1cc(C(CC(=O)NO)N2C(=O)c3ccccc3C2=O)ccc1OC

HCID9929956

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(CC(=O)NOC(=O)c2cccnc2)N2C(=O)c3ccccc3C2=O)ccc1OC

HCID86594100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f3d3963988942cfb788d9a69118bbb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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