HRID1144169

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

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID3718444

1-Bromo-2-fluoro-4-methoxybenzene

C7H6BrFO

结构：COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID11087024

Methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C15H21BO4

PRODUCTS

生成物

HCID57704800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e69fbf9f29c5460dbb2a56e0ad752944
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:10])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:11][c:12]1[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20][c:21]1[B:22]1[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]1.[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:47][CH2:48][OH:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:37][CH2:38][Cl:39].[Na+:35].[Na+:36].[OH2:46].[Pd:57].[c:115]1([P:116]([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)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([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)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([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)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[c:2]1(-[c:21]2[c:12]([CH3:11])[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[c:3]([F:10])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1