HRID1206048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

HCID11321806

2-Amino-5-bromo-4-methylpyridine-3-carbonitrile

C7H6BrN3

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(C(F)(F)F)cc(C(F)(F)F)c2)cnc(N)c1C#N

HCID19707197

2-Amino-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-pyridinecarbonitrile

C15H9F6N3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b54761d23a142e1845f9c746d3e9b61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[F:12][C:13]([c:14]1[cH:15][c:16]([B:24]([OH:25])[OH:26])[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)([F:27])[F:28].[K+:33].[K+:34].[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:11])[c:6]([CH3:10])[c:7]1[C:8]#[N:9].[OH2:35].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:16]2[cH:15][c:14]([C:13]([F:12])([F:27])[F:28])[cH:19][c:18]([C:20]([F:21])([F:22])[F:23])[cH:17]2)[c:6]([CH3:10])[c:7]1[C:8]#[N:9]