HRID304619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：O=C1c2c(c(OS(=O)(=O)C(F)(F)F)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1

HCID58928818

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1-c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

HCID58928724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd07ada5d2584fae86fabecaa78a384b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:51][c:52]1[n:53][o:54][c:55]([CH3:60])[c:56]1[B:57]([OH:58])[OH:59].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][c:15]1[c:16]2[c:17]([c:18]([O:25][S:26]([C:27]([F:28])([F:29])[F:30])(=[O:31])=[O:32])[c:19]3[cH:20][cH:21][cH:22][n:23][c:24]13)[CH2:33][N:34]([CH2:37][c:38]1[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]1)[C:35]2=[O:36].[K+:45].[K+:46].[O-:47][C:48]([O-:49])=[O:50].[Pd:74].[c:113]1([P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128][cH:129][cH:130][cH:131]1.[c:132]1([P:133]([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147][cH:148][cH:149][cH:150]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][c:15]1[c:16]2[c:17]([c:18](-[c:56]3[c:52]([CH3:51])[n:53][o:54][c:55]3[CH3:60])[c:19]3[cH:20][cH:21][cH:22][n:23][c:24]13)[CH2:33][N:34]([CH2:37][c:38]1[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]1)[C:35]2=[O:36]