HRID96127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID29919767

[3-Bromo-5-(trifluoromethyl)phenyl]methanol

C8H6BrF3O

PRODUCTS

生成物

HCID58993672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e33858fd1bb487a8e29423309c38975
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

[Br:1][c:2]1[cH:3][c:4]([CH2:12][OH:13])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[C:14](#[N:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[K+:26].[OH-:25].[OH2:27].[Pd:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([C:14]#[N:15])[cH:21][cH:20]2)[cH:3][c:4]([CH2:12][OH:13])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1