HRID1538862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID538412

N-Acetyl-N-methoxyacetamide

C5H9NO3

结构：NCCON=Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F

HCID72794471

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCON=Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F

HCID74020018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-649f6979dd8747e2a5487e9fe22343c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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