HRID304978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID8471

Triethylamine

C6H15N

结构：COc1ccccc1C1(O)CCC(c2ccccc2)(c2ccccc2)C2CNCC21

HCID19376827

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1(O)CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccccc3)CC21

HCID18994354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ddfd69d47bb4f0ca2d018e614c76256
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

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