HRID198553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

结构：Cc1ccc(Oc2ccc3nc(NC(=O)CCl)sc3c2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

HCID86655359

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)CN4CCN(C)CC4)sc3c2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

HCID86655360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a317701b4824fb090bb499cb30b0433
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[cH:11][cH:12][c:13]([O:15][c:16]1[cH:17][cH:18][c:19]([CH3:36])[c:20]([NH:22][C:23]([c:24]3[cH:25][c:26]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])[cH:27][cH:28][cH:29]3)=[O:35])[cH:21]1)[cH:14]2.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[cH:11][cH:12][c:13]([O:15][c:16]1[cH:17][cH:18][c:19]([CH3:36])[c:20]([NH:22][C:23]([c:24]3[cH:25][c:26]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])[cH:27][cH:28][cH:29]3)=[O:35])[cH:21]1)[cH:14]2)[N:48]1[CH2:47][CH2:46][N:45]([CH3:44])[CH2:50][CH2:49]1