HRID1209823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID21241

1-Butene, 4-bromo-

C4H7Br

HCID5462224

Magnesium

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID11744881

4-(3-butenyl)benzonitrile

C11H11N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22cd606b49f949e19d41848f7c229cb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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