HRID1125471

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

HCID2783397

2-Fluoropyridine-5-boronic acid

C5H5BFNO2

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1cc(Cl)ncc1OCC2

HCID58204319

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：CC(C)n1ncnc1-c1cn2c(n1)-c1cc(-c3ccc(F)nc3)ncc1OCC2

HCID58204927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb94e63e2ef14326b09443e2629527ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:24][C:25]#[N:26].[CH3:29][C:30](=[O:31])[O-:32].[Cl:1][c:2]1[cH:3][c:4]2[c:10]([cH:11][n:12]1)[O:9][CH2:8][CH2:7][n:6]1[c:5]-2[n:15][c:14](-[c:16]2[n:17][cH:18][n:19][n:20]2[CH:21]([CH3:22])[CH3:23])[cH:13]1.[F:33][c:34]1[n:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[K+:28].[OH2:27].[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>>[c:2]1(-[c:37]2[cH:36][n:35][c:34]([F:33])[cH:39][cH:38]2)[cH:3][c:4]2[c:10]([cH:11][n:12]1)[O:9][CH2:8][CH2:7][n:6]1[c:5]-2[n:15][c:14](-[c:16]2[n:17][cH:18][n:19][n:20]2[CH:21]([CH3:22])[CH3:23])[cH:13]1