HRID1141659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8053

3-Methylbutyl nitrite

C5H11NO2

HCID8071

未命名化合物

HCID24841

Hydrogen iodide

HCID30165

Iodide ion

I-

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

结构：CC(C)(C)OC(=O)N1CCc2c(cc(-c3ccnc(N)n3)n2CC(F)(F)F)C1=O

HCID24777039

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2c(cc(-c3ccnc(I)n3)n2CC(F)(F)F)C1=O

HCID86665144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b11ca3b9892d41e59934440ed08471cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9](=[O:29])[c:10]2[c:11]([n:14]([CH2:24][C:25]([F:26])([F:27])[F:28])[c:15](-[c:17]3[n:18][c:19]([NH2:23])[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1.[CH2:41]([CH2:42][O:43][CH3:44])[O:45][CH3:46].[Cs+:31].[Cu:47]([I:48])[I:49].[I-:30].[I:32].[N:33]([O:34][CH2:35][CH2:36][CH:37]([CH3:38])[CH3:39])=[O:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9](=[O:29])[c:10]2[c:11]([n:14]([CH2:24][C:25]([F:26])([F:27])[F:28])[c:15](-[c:17]3[n:18][c:19]([I:30])[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1