HRID1208244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

HCID67235820

未命名化合物

PRODUCTS

生成物

结构：C=COCCONC(=O)c1cc2ccncn2c1Nc1ccc(I)cc1F

HCID86654286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fc181a044534eb48771d5bb0d84c003
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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