HRID1129886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：CS(=O)(=O)OCC1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1

HCID12992442

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CC2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1

HCID9891394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55715a00d77f4b26b78d6ff902daaa5a
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

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