HRID2130347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID22464

4-Pentynoic acid

C5H6O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID66618357

未命名化合物

PRODUCTS

生成物

结构：C#CCCC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4F)C3)cs2)CC1

HCID86647676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a58596600374ceeaf90dc475f11c333
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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