HRID164313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6590

2-Methylpropanoic acid

C4H8O2

结构：CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F

HCID11533581

未命名化合物

HCID67076995

未命名化合物

PRODUCTS

生成物

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

HCID59348020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bae820d0a0e44c58840db00be2bef943
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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