HRID302784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID80646

3-(4-Bromobenzoyl)propionic acid

C10H9BrO3

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

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：O=C(O)CCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID23005240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10ff93fe22124db386ed305973ca343c
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:14][c:15]1[cH:16][cH:17][c:18]([C:21]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])=[O:27])[cH:19][cH:20]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1)([F:12])[F:13].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:15]2[cH:16][cH:17][c:18]([C:21]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])=[O:27])[cH:19][cH:20]2)[cH:7][cH:8]1)([F:12])[F:13]