HRID2126797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7622

Tributylamine

C12H27N

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID10374504

3,3-dimethoxypropanoic Acid

C5H10O4

结构：CC(CNCCCC(=O)OC(C)(C)C)Nc1ccc(C(F)(F)F)c(Cl)c1

HCID67074166

未命名化合物

PRODUCTS

生成物

结构：COC(CC(=O)N(CCCC(=O)OC(C)(C)C)CC(C)Nc1ccc(C(F)(F)F)c(Cl)c1)OC

HCID67073949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35c136cce578438ca75764a3dd10e927
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

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