HRID1559941

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

HCID69831

2-Bromo-5-methylthiophene

C5H5BrS

HCID58028431

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：CCCc1ccc(-c2cc(F)c(-c3ccc(C)s3)c(F)c2)cc1

HCID58028452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2f136a5cd944a3eabf41ad73b12ec89
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[s:3][c:4]([CH3:7])[cH:5][cH:6]1.[CH2:34]([OH:35])[CH3:36].[CH2:8]([CH2:9][CH3:10])[c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([F:27])[c:20]([B:24]([OH:25])[OH:26])[c:21]([F:23])[cH:22]2)[cH:15][cH:16]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[c:37]1([CH3:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:2]1(-[c:20]2[c:19]([F:27])[cH:18][c:17](-[c:14]3[cH:13][cH:12][c:11]([CH2:8][CH2:9][CH3:10])[cH:16][cH:15]3)[cH:22][c:21]2[F:23])[s:3][c:4]([CH3:7])[cH:5][cH:6]1