HRID1134361

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：CCOC(=O)c1cnn(-c2cc(Cl)nc(NC(C)c3ccc(F)cc3)n2)c1

HCID178469982

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cc(Nc3cnccn3)nc(NC(C)c3ccc(F)cc3)n2)c1

HCID178469987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35cce097cad141f1837205286022fc2e
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

[CH3:69][C:70]([CH3:71])([O-:72])[CH3:73].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([CH:51]([CH3:52])[CH3:53])[cH:54][c:55]([CH:56]([CH3:57])[CH3:58])[cH:59][c:60]2[CH:61]([CH3:62])[CH3:63])[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[Cl:1][c:2]1[cH:3][c:4](-[n:18]2[n:19][cH:20][c:21]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:22]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.[NH2:28][c:29]1[n:30][cH:31][cH:32][n:33][cH:34]1.[Na+:74]>>[c:2]1([NH:28][c:29]2[n:30][cH:31][cH:32][n:33][cH:34]2)[cH:3][c:4](-[n:18]2[n:19][cH:20][c:21]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:22]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