HRID692383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID9935

Benzoic acid, 2-fluoro-

C7H5FO2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

HCID59547854

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1ccn(Cc2ccc(I)cc2C(F)(F)F)n1)c1ccccc1F

HCID46944781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-38f42ca0e9f84201932ec914038fd2b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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