HRID201817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID7010344

2-(dimethylamino)acetyl chloride

C4H8ClNO

结构：N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)n1

HCID178510382

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1

HCID178483919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09ae31d15f76472bb6ec1d41cc2c0d5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:46][N:47]([CH3:48])[CH2:49][C:50](=[O:51])[Cl:52].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:53][CH2:54][Cl:55].[ClH:45].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][N:23]([C:50]([CH2:49][N:47]([CH3:46])[CH3:48])=[O:51])[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1