HRID1542298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID20111647

(2-Methylpyridin-3-yl)boronic acid

C6H8BNO2

结构：Fc1ccc(-n2ncnc2-c2cc3c(s2)-c2nc(Cl)ccc2OCC3)c(F)c1

HCID57900309

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：Cc1ncccc1-c1ccc2c(n1)-c1sc(-c3ncnn3-c3ccc(F)cc3F)cc1CCO2

HCID57900382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a343675f0ac647ea8d3ee60329f844eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:30][C:31](=[O:32])[O-:33].[CH3:34][c:35]1[n:36][cH:37][cH:38][cH:39][c:40]1[B:41]([OH:42])[OH:43].[CH3:44][C:45]#[N:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([n:12]1)-[c:10]1[c:9]([cH:15][c:14](-[c:16]3[n:17][cH:18][n:19][n:20]3-[c:21]3[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]3)[s:13]1)[CH2:8][CH2:7][O:6]2.[K+:29].[OH2:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1(-[c:40]2[c:35]([CH3:34])[n:36][cH:37][cH:38][cH:39]2)[cH:3][cH:4][c:5]2[c:11]([n:12]1)-[c:10]1[c:9]([cH:15][c:14](-[c:16]3[n:17][cH:18][n:19][n:20]3-[c:21]3[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]3)[s:13]1)[CH2:8][CH2:7][O:6]2