HRID163180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID204484

Propylphosphonic acid

C3H9O3P

结构：O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

HCID58338630

未命名化合物

结构：COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

HCID58338637

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(F)(F)F)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

HCID16220211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89f88c4ee5da496b9297a46b7c7358e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:62]([P:63]([OH:64])([OH:65])=[O:66])[CH2:67][CH3:68].[CH3:75][N:76]([CH3:77])[c:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:27]([F:28])([F:29])[F:30])[CH2:10][C:11]([c:14]3[cH:15][cH:16][c:17]([C:24](=[O:25])[OH:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:31][c:32]1[cH:33][c:34]([C:35]2([C:36]([F:37])([F:38])[F:39])[O:40][N:41]=[C:42]([c:43]3[c:44]4[c:45]([cH:46][cH:47][cH:48][cH:49]4)[c:50]([C:51]([O:52][CH3:53])=[O:54])[cH:55][cH:56]3)[CH2:57]2)[cH:58][c:59]([Cl:60])[cH:61]1.[Cl:84][CH2:85][Cl:86].[F:69][C:70]([CH2:71][NH2:72])([F:73])[F:74]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:27]([F:28])([F:29])[F:30])[CH2:10][C:11]([c:14]3[cH:15][cH:16][c:17]([C:24](=[O:25])[NH:72][CH2:71][C:70]([F:69])([F:73])[F:74])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1