HRID2330409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID18831

6-Chloro-1,3,5-triazine-2,4-diamine

C3H4ClN5

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID178505620

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(N)nc(-n2nc(Cc3ccccc3F)c3ncccc32)n1

HCID24794478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93466ee607d1472cabd67daeaded40a8
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:61](=[O:62])([O-:63])[O-:64].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:80][OH:81].[CH:27]1([P:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2-[c:41]2[c:42]([CH:43]([CH3:44])[CH3:45])[cH:46][c:47]([CH:48]([CH3:49])[CH3:50])[cH:51][c:52]2[CH:53]([CH3:54])[CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cs+:65].[Cs+:66].[F:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][nH:7][c:8]3[c:9]2[n:10][cH:11][cH:12][cH:13]3)[cH:14][cH:15][cH:16][cH:17]1.[NH2:18][c:19]1[n:20][c:21]([NH2:22])[n:23][c:24]([Cl:25])[n:26]1>>[F:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][n:7](-[c:24]3[n:23][c:21]([NH2:22])[n:20][c:19]([NH2:18])[n:26]3)[c:8]3[c:9]2[n:10][cH:11][cH:12][cH:13]3)[cH:14][cH:15][cH:16][cH:17]1