HRID1572607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID13655

Benzonitrile, 4-chloro-3-nitro-

C7H3ClN2O2

HCID24290

未命名化合物

HCID28179

Fluoride

F-

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID104967

Cesium(1+)

Cs+

PRODUCTS

生成物

HCID10489311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a35a06800b1146ce88d9b850ada795fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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