HRID200207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID69132

Benzoic acid, 2-iodo-, methyl ester

C8H7IO2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

2 次

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

PRODUCTS

生成物

HCID21988942

Methyl 4'-cyano[1,1'-biphenyl]-2-carboxylate

C15H11NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e6d6423cd7a4af193839e31fd119700
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

[C:19](#[N:20])[c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[C:2](=[O:3])([O-:4])[O-:5].[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[I:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]1.[K+:6].[K+:7].[OH2:1].[Pd:30]([Cl:31])[Cl:32].[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][c:39]1[P:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][c:53]1[CH3:54].[c:55]1([CH3:56])[cH:57][cH:58][cH:59][cH:60][c:61]1[P:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][c:68]1[CH3:69])[c:70]1[cH:71][cH:72][cH:73][cH:74][c:75]1[CH3:76]>>[c:9]1(-[c:24]2[cH:23][cH:22][c:21]([C:19]#[N:20])[cH:26][cH:25]2)[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]1