HRID1211618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID10850744

[2,3-Difluoro-4-(octyloxy)phenyl]boronic acid

C14H21BF2O3

结构：FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCOc1ccc(-c2ccc(Br)cc2)cc1

HCID85830383

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：CCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)c(F)c1F

HCID87740559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fea4595f791546cd98256a5a9dbfa537
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19]([C:20]([C:21]([C:22]([F:23])([F:24])[F:25])([F:26])[F:27])([F:28])[F:29])([F:30])[F:31])[cH:12][cH:13]2)[cH:6][cH:7]1.[F:32][c:33]1[c:34]([B:49]([OH:50])[OH:51])[cH:35][cH:36][c:37]([O:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[c:38]1[F:39].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[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)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1(-[c:34]2[c:33]([F:32])[c:38]([F:39])[c:37]([O:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[cH:36][cH:35]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19]([C:20]([C:21]([C:22]([F:23])([F:24])[F:25])([F:26])[F:27])([F:28])[F:29])([F:30])[F:31])[cH:12][cH:13]2)[cH:6][cH:7]1