HRID1139407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7505

Benzonitrile

C7H5N

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1Br

HCID59764523

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C#C[Si](C)(C)C

HCID59764535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edeffff38bf3401cb5e5c9106df10492
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

[Br:1][c:2]1[c:3]([CH3:33])[cH:4][c:5]([O:29][CH:30]([CH3:31])[CH3:32])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]([CH3:28])[c:13]([NH:15][c:16]3[c:17]([S:22](=[O:23])(=[O:24])[CH:25]([CH3:26])[CH3:27])[cH:18][cH:19][cH:20][cH:21]3)[n:14]2)[cH:7]1.[C:34](#[CH:35])[Si:36]([CH3:37])([CH3:38])[CH3:39].[C:58]([c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)#[N:65].[C:66]([c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)#[N:73].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:55][Pd:56][Cl:57].[Cu:74][I:75]>>[c:2]1([C:35]#[C:34][Si:36]([CH3:37])([CH3:38])[CH3:39])[c:3]([CH3:33])[cH:4][c:5]([O:29][CH:30]([CH3:31])[CH3:32])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]([CH3:28])[c:13]([NH:15][c:16]3[c:17]([S:22](=[O:23])(=[O:24])[CH:25]([CH3:26])[CH3:27])[cH:18][cH:19][cH:20][cH:21]3)[n:14]2)[cH:7]1