HRID317338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID1140

Toluene

C7H8

HCID89990

1-Butene, 2-bromo-

C4H7Br

HCID21931617

(3-Fluoro-2-methoxyphenyl)boronic acid

C7H8BFO3

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

HCID66969478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11cf59867c5c4c13b2586c5f247a81c1
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:13][C:14](=[CH2:15])[CH2:16][CH3:17].[CH2:26]([OH:27])[CH2:28][CH3:29].[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[F:1][c:2]1[c:3]([O:11][CH3:12])[c:4]([B:8]([OH:9])[OH:10])[cH:5][cH:6][cH:7]1.[OH2:18].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([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)([P:55]([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)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[P:74]([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)[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)[cH:105][cH:106]1>>[F:1][c:2]1[c:3]([O:11][CH3:12])[c:4]([C:14](=[CH2:15])[CH2:16][CH3:17])[cH:5][cH:6][cH:7]1