HRID100325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID12286

3-Bromopyridine

C5H4BrN

HCID13956

Phosphine, tris(4-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C#N)c(OC)c12

HCID23070127

未命名化合物

PRODUCTS

生成物

结构：COc1c(C#N)ccc2c1c(C=Cc1cccnc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID68928545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55b93586ec34476f9648e175bcf59e45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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