HRID205459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(Cl)nc1

HCID57717453

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3NC(=O)OC(C)(C)C)cn2)CC1

HCID59737502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b47b5cc3b14341608dca9cc82cbfc0eb
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

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