HRID813966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID44119324

[4-(2-Cyanopropan-2-yl)phenyl]boronic acid

C10H12BNO2

结构：Brc1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2C1CCCCO1

HCID136352243

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C2CCCCO2)cc1

HCID136352249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-434c23d6d53b48919f95dd7562fd241c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:26](#[N:27])[C:28]([CH3:29])([CH3:30])[c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[C:59](=[O:60])([O-:61])[O-:62].[C:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[Na+:63].[Na+:64].[Pd+2:74].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[nH:1]1[c:2](-[c:10]2[n:11][n:12]([CH:20]3[O:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[c:13]3[cH:14][cH:15][c:16]([Br:19])[cH:17][c:18]23)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[nH:1]1[c:2](-[c:10]2[n:11][n:12]([CH:20]3[O:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[c:13]3[cH:14][cH:15][c:16](-[c:34]4[cH:33][cH:32][c:31]([C:28]([C:26]#[N:27])([CH3:29])[CH3:30])[cH:36][cH:35]4)[cH:17][c:18]23)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2