HRID154044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID4641692

6-Methoxy-2-naphthaleneboronic acid

C11H11BO3

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

结构：CCOC(=O)c1ccc(C(C)n2nc(-c3cc(C(F)(F)F)ccc3F)cc2OS(=O)(=O)C(F)(F)F)cc1

HCID178468858

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C(C)n2nc(-c3cc(C(F)(F)F)ccc3F)cc2-c2ccc3cc(OC)ccc3c2)cc1

HCID67486363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ef084c55cbd4d3a94c75eebd36ac68e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:38][O:39][c:40]1[cH:41][c:42]2[cH:43][cH:44][c:45]([B:50]([OH:51])[OH:52])[cH:46][c:47]2[cH:48][cH:49]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][O:61][CH2:62][CH2:63][O:64][CH3:65].[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH:25]([CH3:26])[c:27]3[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]3)[c:15]([O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24])[cH:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([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)[P:110]([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)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH:25]([CH3:26])[c:27]3[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]3)[c:15](-[c:45]3[cH:44][cH:43][c:42]4[cH:41][c:40]([O:39][CH3:38])[cH:49][cH:48][c:47]4[cH:46]3)[cH:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1