HRID155157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8078

Cyclohexane

C6H12

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID21413

Quinoline, 3-bromo-

C9H6BrN

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cnc3ccccc3c2)CC1

HCID58906302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aac147573e6b4b46a69b1f2a86cacc21
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

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