HRID2327625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID140569

Piperidine, 4-(1-methylethyl)-

C8H17N

结构：Cc1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCCOS(C)(=O)=O

HCID86594683

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCCN1CCC(C(C)C)CC1

HCID59835742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-622b6d9507b240c6a8451d52c6c48449
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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