HRID2124274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：CN(C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1

HCID2734939

2-Diphenylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H24NP

HCID2737494

4-Bromo-3-methylbenzonitrile

C8H6BrN

结构：CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(NS(C)(=O)=O)cc21

HCID57442204

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#N)ccc1-c1cn(C(C)C)c2cc(NS(C)(=O)=O)ccc12

HCID24739668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aceb258140a348c3a52d7d70755d3bd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:27][c:28]1[c:29]([CH3:36])[cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1.[CH2:82]1[O:83][CH2:84][CH2:85][O:86][CH2:87]1.[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6]([B:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[c:7]2[cH:8][cH:9][c:10]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][c:12]12.[K+:70].[K+:71].[K+:72].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[P:65]([O-:66])([O-:67])([O-:68])=[O:69].[Pd+2:73].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[N:57]([CH3:58])[CH3:59])[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6](-[c:28]2[c:29]([CH3:36])[cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]2)[c:7]2[cH:8][cH:9][c:10]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][c:12]12