HRID1113252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID79196

Piperazine, 1-ethyl-

C6H14N2

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(CC)CC3)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID11135513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6df21bba36e44c648556d14436dea675
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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