HRID2136904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID19838781

1-(Aminooxy)propan-2-ol

C3H9NO2

HCID59140126

未命名化合物

PRODUCTS

生成物

结构：CC(O)CONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F

HCID178473554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46a29f4a01ee44b0b310e39755195b9a
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

[CH3:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[ClH:22].[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.[NH2:23][O:24][CH2:25][CH:26]([CH3:27])[OH:28].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:19](=[O:21])[NH:23][O:24][CH2:25][CH:26]([CH3:27])[OH:28])[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