HRID308549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID21708316

未命名化合物

HCID68616893

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2F)ccc1Cl

HCID58827656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8118985c2c2347b7ad14f16ecd2ca831
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:56].[C:31](=[O:32])([O-:33])[O-:34].[CH2:115]([OH:116])[CH3:117].[CH3:57][CH2:58][CH2:59][CH2:60][N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73].[Cl:19][c:20]1[c:21]([F:30])[cH:22][c:23]([O:26][B:27]([OH:28])[OH:29])[cH:24][cH:25]1.[F:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18]2)[cH:5][cH:6][c:7]1[I:8].[K+:35].[K+:36].[OH2:118].[Pd:74]([Cl:75])[Cl:76].[c:119]1([CH3:120])[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]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>>[F:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18]2)[cH:5][cH:6][c:7]1-[c:23]1[cH:22][c:21]([F:30])[c:20]([Cl:19])[cH:25][cH:24]1