HRID689653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID58043895

未命名化合物

HCID59216413

(2,6-Dibromophenyl)methyl acetate

C9H8Br2O2

PRODUCTS

生成物

结构：CC(=O)OCc1c(Br)cccc1N1CCc2c(sc3c2CC(C)(C)C3)C1=O

HCID67016211

2-[2-[(Acetyloxy)methyl]-3-bromophenyl]-3,4,6,7-tetrahydro-6,6-dimethyl-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one

C21H22BrNO3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-855c735ccac7467290cb737b880b7ef1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:16]([CH3:17])(=[O:18])[O:19][CH2:20][c:21]1[c:22]([Br:28])[cH:23][cH:24][cH:25][c:26]1[Br:27].[C:29](=[O:30])([O-:31])[O-:32].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:1][C:2]1([CH3:15])[CH2:3][c:4]2[c:5]([c:6]3[c:7]([s:13]2)[C:8](=[O:12])[NH:9][CH2:10][CH2:11]3)[CH2:14]1.[CH3:35][NH:36][CH2:37][CH2:38][NH:39][CH3:40].[Cs+:33].[Cs+:34].[Cu:41]([I:42])[I:43]>>[CH3:1][C:2]1([CH3:15])[CH2:3][c:4]2[c:5]([c:6]3[c:7]([s:13]2)[C:8](=[O:12])[N:9]([c:22]2[c:21]([CH2:20][O:19][C:16]([CH3:17])=[O:18])[c:26]([Br:27])[cH:25][cH:24][cH:23]2)[CH2:10][CH2:11]3)[CH2:14]1