HRID2339925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

HCID13524042

2-Bromo-6-chlorobenzaldehyde

C7H4BrClO

PRODUCTS

生成物

HCID21937646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96cb6d4c0cc44d19b38395f56b89ac33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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