HRID97272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID7809

p-Xylene

C8H10

HCID8172

Triethylene glycol

C6H14O4

HCID13391

2-Chlorobenzonitrile

C7H4ClN

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID79799

p-Tolueneboronic acid

C7H9BO2

PRODUCTS

生成物

HCID145512

4'-Methylbiphenyl-2-carbonitrile

C14H11N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d727eb88a25b49c7ab5bd48ceeb0fae2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:27][C:28](=[O:29])[O-:30].[CH3:31][c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1.[CH3:50][S:51]([CH3:52])=[O:53].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[Na+:20].[Na+:21].[Na+:26].[O-:22][C:23](=[O:24])[O-:25].[OH2:49].[OH:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47][OH:48].[Pd:54]([Cl:55])[Cl:56].[c:10]1([CH3:19])[cH:11][cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]1>>[c:2]1(-[c:13]2[cH:12][cH:11][c:10]([CH3:19])[cH:15][cH:14]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1