HRID699179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3776

Isopropanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID67057685

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN1C1CC(c2ccc(-c3ccc(C#N)cc3)cc2)C1

HCID16666734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e71a75109fe6496db2c58246d45c8ba6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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