HRID151693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID104967

Cesium(1+)

Cs+

2 次

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：N#Cc1c(O)c2c(-c3ccc(Br)cc3)csc2[nH]c1=O

HCID54696423

3-(4-Bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

C14H7BrN2O2S

PRODUCTS

生成物

结构：N#Cc1c(O)c2c(-c3ccc(-c4ccc(F)cc4)cc3)csc2[nH]c1=O

HCID54721818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0a1b9c198c947bcabacced2501f2fd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][s:10][c:11]3[nH:12][c:13](=[O:20])[c:14]([C:18]#[N:19])[c:15]([OH:17])[c:16]23)[cH:6][cH:7]1.[C:31](=[O:32])([O-:33])[O-:34].[Cs+:35].[Cs+:36].[F:21][c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[Pd:113].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([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)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([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)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([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)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][s:10][c:11]3[nH:12][c:13](=[O:20])[c:14]([C:18]#[N:19])[c:15]([OH:17])[c:16]23)[cH:6][cH:7]1