HRID170604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

4 次

HCID1061

Phosphate

O4P-3

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID18979547

未命名化合物

反应SMILES：O=S(=O)(Oc1ccc(C2CCC(CCC3OCCO3)CC2)cc1)C(F)(F)F

HCID18979600

未命名化合物

PRODUCTS

产物

反应SMILES：OCCCCCCOc1ccc(-c2ccc(C3CCC(CCC4OCCO4)CC3)cc2)cc1

HCID18979436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0ec3c5ec46224800875c66c4849c8e90
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-:54].[F:18][C:19]([F:20])([F:21])[S:22]([O:23][c:24]1[cH:25][cH:26][c:27]([CH:30]2[CH2:31][CH2:32][CH:33]([CH2:36][CH2:37][CH:38]3[O:39][CH2:40][CH2:41][O:42]3)[CH2:34][CH2:35]2)[cH:28][cH:29]1)(=[O:43])=[O:44].[K+:50].[K+:51].[K+:52].[K+:53].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH:1][B:2]([c:3]1[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][OH:16])[cH:7][cH:8]1)[OH:17].[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[Pd:61].[c:100]1([P:101]([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][cH:116][cH:117][cH:118]1.[c:119]1([P:120]([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][cH:135][cH:136][cH:137]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:3]1(-[c:24]2[cH:25][cH:26][c:27]([CH:30]3[CH2:31][CH2:32][CH:33]([CH2:36][CH2:37][CH:38]4[O:39][CH2:40][CH2:41][O:42]4)[CH2:34][CH2:35]3)[cH:28][cH:29]2)[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][OH:16])[cH:7][cH:8]1