HRID135712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：Cn1c(=O)[nH]c(=O)c2c1nc(Cl)n2Cc1ccccc1

HCID911583

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(C(=O)OC(C)(C)C)CC1)n2Cc1ccccc1

HCID23536951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16987a762793414b8866213cd9241172
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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