HRID687668

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

HCID88888

4-Bromo-3-chloroaniline

C6H5BrClN

HCID23005339

[2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid

C14H12BF3O3

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：Nc1ccc(-c2cc(C(F)(F)F)ccc2OCc2ccccc2)c(Cl)c1

HCID67280021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4487a6c19ee4b9bb3648994a012b556
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:22][c:23]1[c:24]([Cl:30])[cH:25][c:26]([NH2:27])[cH:28][cH:29]1.[CH3:31][CH2:32][OH:33].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[c:1]1([CH2:7][O:8][c:9]2[c:10]([B:19]([OH:20])[OH:21])[cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:1]1([CH2:7][O:8][c:9]2[c:10](-[c:23]3[c:24]([Cl:30])[cH:25][c:26]([NH2:27])[cH:28][cH:29]3)[cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1