HRID702668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

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：CC1(C)Oc2cc(Cl)ccc2C(c2ccc(F)cc2)=C1C1CC1

HCID59443026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7544fa765fb4019ac8a769bf6de0efb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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].[CH:22]1([B:25]([OH:26])[OH:27])[CH2:23][CH2:24]1.[K+:33].[K+:34].[K+:35].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:36].[P:28]([O-:29])([O-:30])([O-:31])=[O:32].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[C:2]1([CH:22]2[CH2:23][CH2:24]2)=[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]