HRID1234480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

结构：C=[CH][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

HCID81998

Ethynyltributylstannane

C14H30Sn

结构：CC1(C)Oc2cc(Cl)ccc2C(c2ccc(F)cc2)=C1Br

HCID59443055

未命名化合物

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：C=CC1=C(c2ccc(F)cc2)c2ccc(Cl)cc2OC1(C)C

HCID59442966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4719b62faad34b98acc790e1b41d6600
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][C:2]1=[C:11]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:10]2[c:5]([cH:6][c:7]([Cl:19])[cH:8][cH:9]2)[O:4][C:3]1([CH3:20])[CH3:21].[CH2:22]([CH2:23][CH2:35][CH3:36])[Sn:24]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH:33]=[CH2:34].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[F-:37].[K+:38].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[P:95]([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)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[C:2]1([CH:22]=[CH2:23])=[C:11]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:10]2[c:5]([cH:6][c:7]([Cl:19])[cH:8][cH:9]2)[O:4][C:3]1([CH3:20])[CH3:21]