HRID1145253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID78747

2-Aminopyrazine

C4H5N3

HCID4574913

未命名化合物

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

结构：CC(Nc1nc(Cl)cc(-c2cncc(C#N)c2)n1)c1ccc(F)cc1

HCID87234958

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nc(Nc2cnccn2)cc(-c2cncc(C#N)c2)n1)c1ccc(F)cc1

HCID46865031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1e8a00d3aad43e1aed0d59df1f46462
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:67][C:68]([CH3:69])([O-:70])[CH3:71].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2-[c:47]2[c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]2[CH:59]([CH3:60])[CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[Cl:1][c:2]1[cH:3][c:4](-[c:18]2[cH:19][n:20][cH:21][c:22]([C:23]#[N:24])[cH:25]2)[n:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1.[NH2:26][c:27]1[n:28][cH:29][cH:30][n:31][cH:32]1.[Na+:72]>>[c:2]1([NH:26][c:27]2[n:28][cH:29][cH:30][n:31][cH:32]2)[cH:3][c:4](-[c:18]2[cH:19][n:20][cH:21][c:22]([C:23]#[N:24])[cH:25]2)[n:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1