HRID204338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

HCID59216413

(2,6-Dibromophenyl)methyl acetate

C9H8Br2O2

HCID59836660

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(Br)cccc1N1CCc2cc(C(C)(C)C)ccc2C1=O

HCID59216426

2-[2-[(Acetyloxy)methyl]-3-bromophenyl]-6-(1,1-dimethylethyl)-3,4-dihydro-1(2H)-isoquinolinone

C22H24BrNO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c236498dd325486ca53b2787f00fa2b2
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

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