HRID100479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31374

Dimethylacetamide

C4H9NO

结构：CC1(C)OB(c2ccc(F)c(-c3ccccc3C#N)c2)OC1(C)C

HCID11771647

2′-Fluoro-5′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1′-biphenyl]-2-carbonitrile

C19H19BFNO2

HCID22385760

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(-c2cnc3cc(C(F)(F)F)ncn23)ccc1F

HCID10110424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f51cbc4b98a44b52bed6124810cf7f1e
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][n:4][c:5]2[n:6]1[cH:7][n:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]2.[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[F:23][c:24]1[c:25](-[c:39]2[c:40]([C:45]#[N:46])[cH:41][cH:42][cH:43][cH:44]2)[cH:26][c:27]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:28][cH:29]1.[K+:20].[K+:21].[K+:22].[P:15]([O-:16])([O-:17])([O-:18])=[O:19].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:27]2[cH:26][c:25](-[c:39]3[c:40]([C:45]#[N:46])[cH:41][cH:42][cH:43][cH:44]3)[c:24]([F:23])[cH:29][cH:28]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][n:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]2