HRID2313758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2783192

[3-Fluoro-5-(trifluoromethyl)phenyl]boronic acid

C7H5BF4O2

HCID22465737

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2cc(F)cc(C(F)(F)F)c2)ccc(N)c1C#N

HCID54568840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a64a23f4f06466ea030114f52dcc587
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

[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH3:39][CH2:40][OH:41].[F:25][c:26]1[cH:27][c:28]([B:36]([OH:37])[OH:38])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1.[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([CH3:11])[c:7]([Br:10])[cH:8][cH:9]1.[Na+:12].[Na+:13].[O-:14][C:15](=[O:16])[O-:17].[OH2:119].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([CH3:11])[c:7](-[c:28]2[cH:27][c:26]([F:25])[cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29]2)[cH:8][cH:9]1