HRID191509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID2733959

4-(Methylthio)phenylboronic acid

C7H9BO2S

结构：O=c1c(-c2ccc(F)cc2)c(OS(=O)(=O)C(F)(F)F)cnn1Cc1ccccc1

HCID9888802

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：CSc1ccc(-c2cnn(Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1

HCID10179246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf1c8988ab8141f8b7f9a44f67244ca7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][cH:10][c:11]([O:22][S:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])=[O:29])[c:12](-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[c:13]1=[O:14].[CH3:30][S:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][cH:10][c:11](-[c:35]2[cH:34][cH:33][c:32]([S:31][CH3:30])[cH:37][cH:36]2)[c:12](-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[c:13]1=[O:14]