HRID693841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID611409

1-Bromo-3,4,5-trifluorobenzene

C6H2BrF3

HCID5462224

Magnesium

HCID22045687

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：CCCc1ccc2c(c1)CCc1cc(-c3cc(F)c(F)c(F)c3)ccc1-2

HCID22044663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-320c279916d94318a4d49f015bc7ce43
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

[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[F:19][c:20]1[cH:21][c:22]([Br:28])[cH:23][c:24]([F:27])[c:25]1[F:26].[I:1][c:2]1[cH:3][c:4]2[c:13]([cH:14][cH:15]1)-[c:12]1[c:7]([cH:8][c:9]([CH2:16][CH2:17][CH3:18])[cH:10][cH:11]1)[CH2:6][CH2:5]2.[Mg:29].[OH2:30].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[c:2]1(-[c:22]2[cH:21][c:20]([F:19])[c:25]([F:26])[c:24]([F:27])[cH:23]2)[cH:3][c:4]2[c:13]([cH:14][cH:15]1)-[c:12]1[c:7]([cH:8][c:9]([CH2:16][CH2:17][CH3:18])[cH:10][cH:11]1)[CH2:6][CH2:5]2