HRID1207641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID5193990

N,N'-Di-Boc-thiourea

C11H20N2O4S

HCID18667629

3-(4-Ethoxypyridin-2-yl)aniline

C13H14N2O

PRODUCTS

生成物

结构：CCOc1ccnc(-c2cccc(N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2)c1

HCID136134137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c81ececeb30478385118efd67ae0885
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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