HRID683776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

结构：Cc1c(Nc2ccc(I)cc2F)c(C(=O)O)nn(C)c1=O

HCID66674044

未命名化合物

PRODUCTS

生成物

结构：C=COCCONC(=O)c1nn(C)c(=O)c(C)c1Nc1ccc(I)cc1F

HCID86601616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0aece336818e481d8c94cda6c517c183
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

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