HRID2124466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734387

2-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID57849584

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：FC(F)(F)c1ccccc1-c1ccc(CN2CCOC(Cc3ccccc3)C2)cc1

HCID57849666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42bb3c30c1a24476a3bcc48d370db2b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[O:9][CH2:10][CH2:11][N:12]([CH2:14][c:15]2[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]2)[CH2:13]1.[CH3:125][CH2:126][OH:127].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[F:22][C:23]([c:24]1[c:25]([B:30]([OH:31])[OH:32])[cH:26][cH:27][cH:28][cH:29]1)([F:33])[F:34].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[O:9][CH2:10][CH2:11][N:12]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:25]3[c:24]([C:23]([F:22])([F:33])[F:34])[cH:29][cH:28][cH:27][cH:26]3)[cH:19][cH:20]2)[CH2:13]1