HRID102445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID3570229

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H16BNO2

HCID11335561

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：N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccn1

HCID9907172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40a1f418f55b4eae913cb00b7bb93d32
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

[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][cH:36]2)[O:37]1.[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]3[n:12]2[n:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[n:16]3)[cH:7]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1(-[c:29]2[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][cH:36]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]3[n:12]2[n:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[n:16]3)[cH:7]1