HRID2327362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID15096

Tributyltin chloride

C12H27ClSn

结构：CCOC(=O)c1cn(Cc2ccc(-n3cc(I)cn3)cc2)c2cccc(F)c2c1=O

HCID58297053

未命名化合物

结构：CC(C)(C)[PH]([Pd][PH](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C

HCID178454917

未命名化合物

HCID178511842

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(Cc2ccc(-n3cc(C#N)cn3)cc2)c2cccc(F)c2c1=O

HCID44816892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24c4ad4f4f034d3d92270b4b16fe6348
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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