HRID1540439

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

HCID2734334

2,4-Difluorophenylboronic acid

C6H5BF2O2

HCID57700372

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：N#Cc1ccc(F)c(Cc2cccc(-c3ccc(F)cc3F)n2)c1

HCID57700368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2c99ae1ca404eeb88d7d75712e9e02d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][c:9]2[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15][c:16]2[F:17])[n:7]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:29][CH2:30][OH:31].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[F:18][c:19]1[c:20]([B:26]([OH:27])[OH:28])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[Na+:36].[Na+:37].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1(-[c:20]2[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]2)[cH:3][cH:4][cH:5][c:6]([CH2:8][c:9]2[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15][c:16]2[F:17])[n:7]1