HRID295676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID10038637

2-Chloro-4-iodopyridine-3-carbaldehyde

C6H3ClINO

结构：CC(C)(C#N)c1cccc(B2OCCN(c3ccccc3)CCO2)n1

HCID57969631

未命名化合物

PRODUCTS

生成物

HCID57969757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-164b329a0f05430887fe32124ec38728
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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