HRID313124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID300977

N-(2-Methoxyethyl)methylamine

C4H11NO

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：O=C(O)COc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

HCID68502370

未命名化合物

PRODUCTS

生成物

结构：COCCN(C)C(=O)COc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

HCID46893852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5f397c387c84816b17f0b9861833071
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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