HRID298572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID118889

Benzenamine, 3-iodo-4-methyl- (9CI)

C7H8IN

HCID19063864

4-[4-(Ethoxycarbonyl)piperidin-1-yl]benzoic acid

C15H19NO4

结构：CCOC(=O)C1CCN(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1

HCID59318053

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2ccc(C(=O)Nc3ccc(C)c(I)c3)cc2)CC1

HCID59317989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-782da337646a4d2b82cdeabf361ff046
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:10]([CH3:11])[O:12][C:13](=[O:14])[CH:15]1[CH2:16][CH2:17][N:18]([c:21]2[cH:22][cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]2)[CH2:19][CH2:20]1.[CH2:30]([O:31][C:32]([CH:33]1[CH2:34][CH2:35][N:36]([c:37]2[cH:38][cH:39][c:40]([C:41](=[O:42])[NH:43][c:44]3[cH:45][cH:46][cH:47][c:48]([C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53]3)[cH:54][cH:55]2)[CH2:56][CH2:57]1)=[O:58])[CH3:59].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[I:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[CH3:9]>>[I:1][c:2]1[cH:3][c:4]([NH:5][C:27]([c:24]2[cH:23][cH:22][c:21]([N:18]3[CH2:17][CH2:16][CH:15]([C:13]([O:12][CH2:10][CH3:11])=[O:14])[CH2:20][CH2:19]3)[cH:26][cH:25]2)=[O:28])[cH:6][cH:7][c:8]1[CH3:9]