HRID2147742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

HCID59140126

未命名化合物

PRODUCTS

生成物

结构：C=COCCONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F

HCID59140178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83f22ba0c4074b508a3d5d53f9b20d86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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