HRID2136075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7096

Phenylpiperazine

C10H14N2

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(CN3CCN(c4ccccc4)CC3)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID10995669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3cce1baa7da49188da20ecb50fff596
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

[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[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:50][CH2:51][Cl:52].[c:38]1([N:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[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:47]3[CH2:46][CH2:45][N:44]([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[CH2:49][CH2:48]3)[n:9][c:10]2[cH:11]1