HRID2338833

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

HCID4641409

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

C10H15N6O+

结构：Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O

HCID53395102

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)On1nnc2cccnc21

HCID136504042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-958dd1f3ac23472e9a141fbbe9a71406
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

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