HRID2314074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID2724516

1-Bromo-3-fluoro-4-iodobenzene

C6H3BrFI

HCID3696091

[4-(4-Pentylcyclohexyl)phenyl]boronic acid

C17H27BO2

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：CCCCCC1CCC(c2ccc(-c3ccc(Br)cc3F)cc2)CC1

HCID22465798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfe711b1e45343278b33d0540fc5b29b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:24][c:25]1[cH:26][c:27]([F:32])[c:28]([I:31])[cH:29][cH:30]1.[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)[CH2:13][CH2:14]1.[CH3:1][CH2:2][OH:3].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:116].[cH:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18](-[c:28]3[c:27]([F:32])[cH:26][c:25]([Br:24])[cH:30][cH:29]3)[cH:19][cH:20]2)[CH2:13][CH2:14]1