HRID91341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

结构：C#CCN(Cc1cc2c(=O)n(C)c(COS(C)(=O)=O)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID11813583

未命名化合物

PRODUCTS

生成物

结构：C#CCN(Cc1cc2c(=O)n(C)c(CN(CC)CC)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID11114065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd45db8e621f434caae6a0870253be28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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