HRID2124893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID15533893

Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate

C6H3Br2FO2S

HCID66995507

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2ccc(OCc3ccccc3)c(C#N)c2)c(Br)c1F

HCID66995012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69cf51615f4e4f6984ffcf093b5c9ae4
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

[Br:20][c:21]1[c:22]([F:31])[c:23]([C:27](=[O:28])[O:29][CH3:30])[s:24][c:25]1[Br:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:18]#[N:19])[cH:11][c:12]([B:15]([OH:16])[OH:17])[cH:13][cH:14]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[Pd:45].[c:103]1([P:104]([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)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:46]1([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)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([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)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([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)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:18]#[N:19])[cH:11][c:12](-[c:25]2[c:21]([Br:20])[c:22]([F:31])[c:23]([C:27](=[O:28])[O:29][CH3:30])[s:24]2)[cH:13][cH:14]1