HRID189010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID23435572

未命名化合物

HCID23435605

(3-Cyano-5-fluorophenyl)boronic acid

C7H5BFNO2

PRODUCTS

生成物

结构：CC1(C)OC(C(F)(F)F)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21

HCID23435587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8beabf091ca74d59b3b93e9732d74e27
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[C:7]([CH3:15])([CH3:16])[O:8][CH:9]([C:11]([F:12])([F:13])[F:14])[NH:10]2.[C:18](#[N:19])[c:20]1[cH:21][c:22]([B:27]([OH:28])[OH:29])[cH:23][c:24]([F:26])[cH:25]1.[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:42].[Pd:43].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1(-[c:22]2[cH:21][c:20]([C:18]#[N:19])[cH:25][c:24]([F:26])[cH:23]2)[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[C:7]([CH3:15])([CH3:16])[O:8][CH:9]([C:11]([F:12])([F:13])[F:14])[NH:10]2