HRID189226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID27284

Fe +2 ion

Fe+2

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID11266132

1-(4-Iodo-1H-pyrrolo[2,3-b]pyridin-1-yl)ethan-1-one

C9H7IN2O

HCID178418546

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

HCID21961421

1-Acetyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

C10H7N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4829080ddba84acc866c770def4cb63b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Cu:14][C:15]#[N:16].[Fe+2:115].[I:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([C:11]([CH3:12])=[O:13])[cH:9][cH:10]2.[O:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[O:25]=[C:26]([CH:27]=[CH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[Pd:23].[Pd:24].[cH:79]1[cH:80][cH:81][c:82]([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c-:90]2[cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96]1.[cH:97]1[cH:98][cH:99][c:100]([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c-:108]2[cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1([C:15]#[N:16])[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([C:11]([CH3:12])=[O:13])[cH:9][cH:10]2