HRID689405

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

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID67016553

未命名化合物

HCID67016593

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(Br)cc(F)cc1-n1ncc2c3c(sc2c1=O)CCCC3

HCID58044224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db494946f9994a079315ef5b36299464
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:15]([CH3:16])(=[O:17])[O:18][CH2:19][c:20]1[c:21]([Br:28])[cH:22][c:23]([F:27])[cH:24][c:25]1[Br:26].[C:35](=[O:36])([O-:37])[O-:38].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:29][NH:30][CH2:31][CH2:32][NH:33][CH3:34].[Cs+:39].[Cs+:40].[Cu:41][I:42].[c:1]12[c:2]3[cH:3][n:4][nH:5][c:6](=[O:14])[c:7]3[s:8][c:9]1[CH2:10][CH2:11][CH2:12][CH2:13]2>>[c:1]12[c:2]3[cH:3][n:4][n:5](-[c:21]4[c:20]([CH2:19][O:18][C:15]([CH3:16])=[O:17])[c:25]([Br:26])[cH:24][c:23]([F:27])[cH:22]4)[c:6](=[O:14])[c:7]3[s:8][c:9]1[CH2:10][CH2:11][CH2:12][CH2:13]2