HRID2158915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

3 次

HCID61668

Boronic acid

H3BO2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2757964

3-Cyano-4-fluorophenylboronic acid

C7H5BFNO2

结构：COc1ccc(CN(c2ccccc2)c2cc(Cl)nn3ccnc23)cc1

HCID59624558

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(c2ccccc2)c2cc(-c3ccc(F)c(C#N)c3)nn3ccnc23)cc1

HCID68483693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-846ce32afdfb40029e9a597eac6cc47c
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

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