HRID146521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID10850744

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

C14H21BF2O3

结构：CCCCCCCCOc1ccc2c(c1)cc(F)c1cc(Br)ccc12

HCID22112584

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc2c(c1)cc(F)c1cc(-c3ccc(OCCCCCCCC)c(F)c3F)ccc12

HCID54280078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4516d7348c74e8b922065d7aa09f9eb
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:10][c:11]3[cH:12][c:13]([F:16])[c:14]2[cH:15]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][OH:61].[F:26][c:27]1[c:28]([B:43]([OH:44])[OH:45])[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[c:32]1[F:33].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:62].[Pd:63].[c:102]1([P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117][cH:118][cH:119][cH:120]1.[c:121]1([P:122]([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)[cH:135][cH:136][cH:137][cH:138][cH:139]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[c:2]1(-[c:28]2[c:27]([F:26])[c:32]([F:33])[c:31]([O:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[cH:30][cH:29]2)[cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:10][c:11]3[cH:12][c:13]([F:16])[c:14]2[cH:15]1