HRID829066

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

HCID59140186

未命名化合物

PRODUCTS

生成物

结构：C=COCCONC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F

HCID59140166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d3ebbe6a1ce40d0b94c84c64e29d5fd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[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:40].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:19](=[O:20])[OH:21])[cH: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:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]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][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